C38h37n3o8 pa ankò asiyen
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 663.72 | - |
| Dansite (prevwa) | 1.304 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 8.27 ± 0.10 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = cc2) c3oc (coc (c = 4c = cc = cc4) (c5 = cc = c (oc) c = c5) c6 = cc = c (oc) c = c6) c (o) c3) c3 = cc = c (oc) c = c6) c (o) c3) c3 = cc = c (oc) c = c
Souri izomèr
C (OC [C@H] 1O [C@H] (C [C @@ H] 1O) N2C = C (C (NCC3 = CC = CC = C3) = O) C (= O) NC2 = O) (C4 = CC = C (OC) C = C4) (C5 = C = C (OC) C = C)
Inchi
Inchi = 1S/C38H37N3O8/C1-46-29-17-13-27 (14-18-29) 38 (26-11-7-4-8-12-26,28-15-19-30 (47-2) 20-16-28) 48-24-33-32 (42) 1-23-31 (36 (44) 40-37 (41) 45) 35 (43) 39-
, 33+, 34+/m0/s1
Inchi kle
Nzbgrvlzispurb-lbfzijhgsa-n
| Pwopriyete ki disponib |
| Biolojik |
| Pwopriyete ki disponib |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 5250 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 5250 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 5260 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 5260 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 5250 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 5200 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 4720 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 2460 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 466 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 96.9 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 16000 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 16000 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 16000 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 16000 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 16000 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 15800 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 14400 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 7510 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 1420 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 296 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | 5.20 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | 5.20 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | 5.20 | pH 3; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Logd | 5.20 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | 5.20 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | 5.19 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | 5.15 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | 4.87 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | 4.15 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | 3.46 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | 5.198 ± 0.644 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 9.3 x 10-6 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 9.3 x 10-6 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 9.3 x 10-6 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 9.3 x 10-6 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 9.3 x 10-6 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 9.3 x 10-6 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 9.3 x 10-6 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.1 x 10-5 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 2.0 x 10-5 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.1 x 10-4 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 5.1 x 10-4 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.1 x 10-5 g/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 1.4 x 10-8 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-8 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-8 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-8 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-8 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-8 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-8 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.6 x 10-8 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.0 x 10-8 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.6 x 10-7 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 7.7 x 10-7 mol/l | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.6 x 10-8 mol/l | PH dlo unbuffered 7.00; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Pwa molekilè | 663.72 | ||
| pka | 8.27 ± 0.10 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | -1.66 ± 0.20 | Pifò debaz tanperati: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.304 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 508.6 ± 3.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 13 | (1) ACD | |
| H akseptab | 11 | (1) ACD | |
| H donatè | 3 | (1) ACD | |
| H donatè/aksepte sòm | 14 | (1) ACD | |
| logp | 5.198 ± 0.644 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 663.72 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Zòn sifas polè | 136 A2 | (1) ACD | |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
13c NMR
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