3-[[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]benzimidazol-1-yl]methyl]benzonitrile
Formula:C23H15N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]benzimidazol-1-yl]methyl]benzonitrile is not a drug-like molecule.
| MolName | 3-[[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]benzimidazol-1-yl]methyl]benzonitrile |
| MolecularFormula | C23H15N3Cl2 |
| Smiles | N#Cc1cccc(Cn2c(cccc3)c3nc2/C=C/c(ccc(Cl)c2)c2Cl)c1 |
| InChI | InChI=1S/C23H15Cl2N3/c24-19-10-8-18(20(25)13-19)9-11-23-27-21-6-1-2-7-22(21)28(23)15-17-5-3-4-16(12-17)14-26/h1-13H,15H2 |
| InChIK | ANARDNCVOBDTGW-UHFFFAOYSA-N |
| TotalMolweight | 404.299 |
| Molweight | 404.299 |
| MonoisotopicMass | 403.064301 |
| CLogP | 5.8936 |
| CLogS | -5.945 |
| H Acceptors | 3 |
| TotalSurfaceArea | 308.15 |
| Relative PSA | 0.1019 |
| PolarSurfaceArea | 41.61 |
| Druglikeness | -2.2032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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