N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylbenzotriazol-5-amine
Formula:C19H14N5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylbenzotriazol-5-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylbenzotriazol-5-amine |
| MolecularFormula | C19H14N5Br |
| Smiles | Brc1ccc(/C=N\Nc2cc3nn(-c4ccccc4)nc3cc2)cc1 |
| InChI | InChI=1S/C19H14BrN5/c20-15-8-6-14(7-9-15)13-21-22-16-10-11-18-19(12-16)24-25(23-18)17-4-2-1-3-5-17/h1-13,22H |
| InChIK | VMSLLXYJKKRWDB-UHFFFAOYSA-N |
| TotalMolweight | 392.259 |
| Molweight | 392.259 |
| MonoisotopicMass | 391.043256 |
| CLogP | 6.2424 |
| CLogS | -4.904 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 268.95 |
| Relative PSA | 0.19253 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | 2.4619 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylbenzotriazol-5-amine | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylbenzotriazol-5-amine
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