Oja, M.; Maran, U. The permeability of artificial membrane for the wide range of pH in human gastrointestinal tract: experimental measurements and quantitative structure-activity relationship. Mol. Inf. 2015, 34, 493–506.
Compound
| ID: | 58 | |
|---|---|---|
| Name: | Warfarin | |
| Description: | ||
| Labels: | pH3, Acid | |
| CAS: | 81-81-2 | |
| InChi Code: | InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1 |
Properties
logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i
| Value | Source or prediction |
|---|---|
| -4.3 |
experimental value |
| -5.23 |
Eq4: QSAR model for permeability of drugs and drug-like compounds (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5023742 | US EPA CompTox Dashboard |