| Phytochemical Name : 5-Phenyl-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile |
| PCNDIDOT0969 |
| Pubchem CID : 300512 |
| Molecular formula: C14H10N4 |
| Canonical SMILES : CC1=NC(=C(N=C(C1)C2=CC=CC=C2)C#N)C#N |
Synonymes : NSC175268|56984-06-6|SCHEMBL7520283|DTXSID90306301|NSC-175268|5-Phenyl-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.200 |
| Log Po/w (XLOGP3) : 1.430 |
| Log Po/w (WLOGP) : 1.840 |
| Log Po/w (MLOGP) : 0.130 |
| Log Po/w (SILICOS-IT) : 3.720 |
| Consensus Log Po/w : 1.870 |