N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylbenzotriazol-5-amine
Formula:C19H14N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylbenzotriazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylbenzotriazol-5-amine |
| MolecularFormula | C19H14N6O2 |
| Smiles | [O-][N+](c1c(/C=N\Nc2cc3nn(-c4ccccc4)nc3cc2)cccc1)=O |
| InChI | InChI=1S/C19H14N6O2/c26-25(27)19-9-5-4-6-14(19)13-20-21-15-10-11-17-18(12-15)23-24(22-17)16-7-2-1-3-8-16/h1-13,21H |
| InChIK | OKLKHGJRTYDGQQ-UHFFFAOYSA-N |
| TotalMolweight | 358.36 |
| Molweight | 358.36 |
| MonoisotopicMass | 358.117824 |
| CLogP | 4.5956 |
| CLogS | -4.53 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 273.99 |
| Relative PSA | 0.30001 |
| PolarSurfaceArea | 100.92 |
| Druglikeness | -0.9975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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