(NE)-N-[benzotriazol-1-yl(phenyl)methylidene]hydroxylamine
Formula:C13H10N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NE)-N-[benzotriazol-1-yl(phenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[benzotriazol-1-yl(phenyl)methylidene]hydroxylamine |
| MolecularFormula | C13H10N4O |
| Smiles | O/N=C(\c1ccccc1)/n1nnc2c1cccc2 |
| InChI | InChI=1S/C13H10N4O/c18-15-13(10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)14-16-17/h1-9,18H |
| InChIK | QSLWROLPHULRBM-UHFFFAOYSA-N |
| TotalMolweight | 238.249 |
| Molweight | 238.249 |
| MonoisotopicMass | 238.085461 |
| CLogP | 3.1822 |
| CLogS | -4.635 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 183.66 |
| Relative PSA | 0.29086 |
| PolarSurfaceArea | 63.3 |
| Druglikeness | -3.7536 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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