(NE)-N-[2-(benzotriazol-1-yl)-1-(4-chlorophenyl)ethylidene]hydroxylamine
Formula:C14H11N4OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NE)-N-[2-(benzotriazol-1-yl)-1-(4-chlorophenyl)ethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[2-(benzotriazol-1-yl)-1-(4-chlorophenyl)ethylidene]hydroxylamine |
| MolecularFormula | C14H11N4OCl |
| Smiles | O/N=C(/Cn1nnc2c1cccc2)\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H11ClN4O/c15-11-7-5-10(6-8-11)13(17-20)9-19-14-4-2-1-3-12(14)16-18-19/h1-8,20H,9H2 |
| InChIK | QBWKMOPEMDLNLA-UHFFFAOYSA-N |
| TotalMolweight | 286.721 |
| Molweight | 286.721 |
| MonoisotopicMass | 286.062138 |
| CLogP | 2.8439 |
| CLogS | -4.2 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 212.84 |
| Relative PSA | 0.25099 |
| PolarSurfaceArea | 63.3 |
| Druglikeness | -2.4198 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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