(NZ)-N-[2-(benzotriazol-1-yl)-1-phenylethylidene]hydroxylamine
Formula:C14H12N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-[2-(benzotriazol-1-yl)-1-phenylethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[2-(benzotriazol-1-yl)-1-phenylethylidene]hydroxylamine |
| MolecularFormula | C14H12N4O |
| Smiles | O/N=C(\Cn1nnc2c1cccc2)/c1ccccc1 |
| InChI | InChI=1S/C14H12N4O/c19-16-13(11-6-2-1-3-7-11)10-18-14-9-5-4-8-12(14)15-17-18/h1-9,19H,10H2 |
| InChIK | CVCQLQGHGWRYIN-UHFFFAOYSA-N |
| TotalMolweight | 252.276 |
| Molweight | 252.276 |
| MonoisotopicMass | 252.101111 |
| CLogP | 2.2379 |
| CLogS | -3.464 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 197.42 |
| Relative PSA | 0.27059 |
| PolarSurfaceArea | 63.3 |
| Druglikeness | -2.455 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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