2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-benzimidazole
Formula:C15H10N2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-benzimidazole is a drug-like molecule.
| MolName | 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-benzimidazole |
| MolecularFormula | C15H10N2Cl2 |
| Smiles | Clc1cccc(Cl)c1/C=C/c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C15H10Cl2N2/c16-11-4-3-5-12(17)10(11)8-9-15-18-13-6-1-2-7-14(13)19-15/h1-9H,(H,18,19) |
| InChIK | DDSJNCADPJQCOX-UHFFFAOYSA-N |
| TotalMolweight | 289.164 |
| Molweight | 289.164 |
| MonoisotopicMass | 288.022102 |
| CLogP | 4.5677 |
| CLogS | -4.719 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 213.29 |
| Relative PSA | 0.11702 |
| PolarSurfaceArea | 28.68 |
| Druglikeness | 0.11805 |
| 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 | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-benzimidazole | 2 - 2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1H-benzimidazole
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