(NE)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
Formula:C15H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine |
| MolecularFormula | C15H13N3O |
| Smiles | O/N=C(\Cc1nc(cccc2)c2[nH]1)/c1ccccc1 |
| InChI | InChI=1S/C15H13N3O/c19-18-14(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-13(12)17-15/h1-9,19H,10H2,(H,16,17) |
| InChIK | YMHSLWUPHSLIJT-UHFFFAOYSA-N |
| TotalMolweight | 251.288 |
| Molweight | 251.288 |
| MonoisotopicMass | 251.105862 |
| CLogP | 3.0832 |
| CLogS | -3.305 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 199.03 |
| Relative PSA | 0.24906 |
| PolarSurfaceArea | 61.27 |
| Druglikeness | 0.2425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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