N-[(Z)-benzylideneamino]-2-phenylbenzotriazol-5-amine
Formula:C19H15N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-phenylbenzotriazol-5-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-phenylbenzotriazol-5-amine |
| MolecularFormula | C19H15N5 |
| Smiles | C(c1ccccc1)=N\Nc1cc2nn(-c3ccccc3)nc2cc1 |
| InChI | InChI=1S/C19H15N5/c1-3-7-15(8-4-1)14-20-21-16-11-12-18-19(13-16)23-24(22-18)17-9-5-2-6-10-17/h1-14,21H |
| InChIK | JYQQPLPMHSGHBW-UHFFFAOYSA-N |
| TotalMolweight | 313.363 |
| Molweight | 313.363 |
| MonoisotopicMass | 313.132745 |
| CLogP | 5.5172 |
| CLogS | -4.07 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.32 |
| Relative PSA | 0.20686 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | 4.2519 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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