| Phytochemical Name : Withasomnine |
| PCNDIDW0012 |
| Pubchem CID : 442877 |
| Molecular formula: C12H12N2 |
| Canonical SMILES : C1CC2=C(C=NN2C1)C3=CC=CC=C3 |
Synonymes : Withasomnine|3-Phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole|10183-74-1|C10625|4H-Pyrrolo[1,2-b]pyrazole, 5,6-dihydro-3-phenyl-|AC1L9DKB|CTK8G4410|CHEBI:10042|DTXSID00331987|3-Phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole #|Q27108562|Z3484478029 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.100 |
| Log Po/w (XLOGP3) : 2.220 |
| Log Po/w (WLOGP) : 2.500 |
| Log Po/w (MLOGP) : 2.340 |
| Log Po/w (SILICOS-IT) : 2.680 |
| Consensus Log Po/w : 2.370 |