2-[(E)-2-(2-nitrophenyl)ethenyl]-1H-benzimidazole
Formula:C15H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2-nitrophenyl)ethenyl]-1H-benzimidazole is a drug-like molecule.
| MolName | 2-[(E)-2-(2-nitrophenyl)ethenyl]-1H-benzimidazole |
| MolecularFormula | C15H11N3O2 |
| Smiles | [O-][N+](c1c(/C=C/c2nc(cccc3)c3[nH]2)cccc1)=O |
| InChI | InChI=1S/C15H11N3O2/c19-18(20)14-8-4-1-5-11(14)9-10-15-16-12-6-2-3-7-13(12)17-15/h1-10H,(H,16,17) |
| InChIK | ALZRDZYKWMHVTC-UHFFFAOYSA-N |
| TotalMolweight | 265.271 |
| Molweight | 265.271 |
| MonoisotopicMass | 265.085127 |
| CLogP | 2.2637 |
| CLogS | -3.707 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 206.12 |
| Relative PSA | 0.26868 |
| PolarSurfaceArea | 74.5 |
| Druglikeness | -5.1535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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