| Phytochemical Name : 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile |
| PCNDIDOT0464 |
| Pubchem CID : 5316720 |
| Molecular formula: C10H8N2O2 |
| Canonical SMILES : C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O |
Synonymes : 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile|1380540-77-1|2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile|starbld0035266|AKOS032948858|2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile|2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetonitrile |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.880 |
| Log Po/w (XLOGP3) : 0.140 |
| Log Po/w (WLOGP) : 0.770 |
| Log Po/w (MLOGP) : 0.210 |
| Log Po/w (SILICOS-IT) : 1.220 |
| Consensus Log Po/w : 0.640 |