2-[(E)-2-(4-chlorophenyl)ethenyl]-6-nitro-1H-benzimidazole
Formula:C15H10N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]-6-nitro-1H-benzimidazole is a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-6-nitro-1H-benzimidazole |
| MolecularFormula | C15H10N3O2Cl |
| Smiles | [O-][N+](c(cc1)cc2c1nc(/C=C/c(cc1)ccc1Cl)[nH]2)=O |
| InChI | InChI=1S/C15H10ClN3O2/c16-11-4-1-10(2-5-11)3-8-15-17-13-7-6-12(19(20)21)9-14(13)18-15/h1-9H,(H,17,18) |
| InChIK | CCEZORMUHXOROV-UHFFFAOYSA-N |
| TotalMolweight | 299.716 |
| Molweight | 299.716 |
| MonoisotopicMass | 299.046154 |
| CLogP | 2.8697 |
| CLogS | -4.443 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.54 |
| Relative PSA | 0.24998 |
| PolarSurfaceArea | 74.5 |
| Druglikeness | -5.0475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-6-nitro-1H-benzimidazole | 2 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-6-nitro-1H-benzimidazole
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