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: | 67 | |
|---|---|---|
| Name: | Ondansetron | |
| Description: | ||
| Labels: | pH9, Base | |
| CAS: | 99614-02-5 | |
| InChi Code: | InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m0/s1 |
Properties
logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i
| Value | Source or prediction |
|---|---|
| -5.69 |
experimental value |
| -4.91 |
Eq4: QSAR model for permeability of drugs and drug-like compounds (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8023393 | US EPA CompTox Dashboard |