6-nitro-2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-benzimidazole
Formula:C15H10N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-nitro-2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-benzimidazole is a drug-like molecule.
| MolName | 6-nitro-2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-benzimidazole |
| MolecularFormula | C15H10N4O4 |
| Smiles | [O-][N+](c(cc1)cc2c1nc(/C=C/c1cccc([N+]([O-])=O)c1)[nH]2)=O |
| InChI | InChI=1S/C15H10N4O4/c20-18(21)11-3-1-2-10(8-11)4-7-15-16-13-6-5-12(19(22)23)9-14(13)17-15/h1-9H,(H,16,17) |
| InChIK | QQNILPRNDUTMRY-UHFFFAOYSA-N |
| TotalMolweight | 310.268 |
| Molweight | 310.268 |
| MonoisotopicMass | 310.070206 |
| CLogP | 1.3421 |
| CLogS | -4.167 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 229.79 |
| Relative PSA | 0.37338 |
| PolarSurfaceArea | 120.32 |
| Druglikeness | -5.1535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 6-nitro-2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-benzimidazole | 2 - 6-nitro-2-[(E)-2-(3-nitrophenyl)ethenyl]-1H-benzimidazole
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