| Phytochemical Name : 1H-1,2,3-Triazol-1-amine, N-[(4-methylphenyl)methylene]-4-phenyl- |
| PCNDIDOT0412 |
| Pubchem CID : 9602469 |
| Molecular formula: C16H14N4 |
| Canonical SMILES : CC1=CC=C(C=C1)C=NN2C=C(N=N2)C3=CC=CC=C3 |
Synonymes : 1H-1,2,3-Triazol-1-amine, N-[(4-methylphenyl)methylene]-4-phenyl-|N-[(E)-(4-Methylphenyl)methylidene]-4-phenyl-1H-1,2,3-triazol-1-amine # |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.880 |
| Log Po/w (XLOGP3) : 3.450 |
| Log Po/w (WLOGP) : 3.140 |
| Log Po/w (MLOGP) : 3.230 |
| Log Po/w (SILICOS-IT) : 3.320 |
| Consensus Log Po/w : 3.200 |