N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)ethenyl]benzamide
Formula:C22H15N3OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)ethenyl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)ethenyl]benzamide |
| MolecularFormula | C22H15N3OCl2 |
| Smiles | O=C(c1ccccc1)N/C(/c1nc(cccc2)c2[nH]1)=C/c(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C22H15Cl2N3O/c23-16-10-11-17(24)15(12-16)13-20(27-22(28)14-6-2-1-3-7-14)21-25-18-8-4-5-9-19(18)26-21/h1-13H,(H,25,26)(H,27,28) |
| InChIK | JKNKWFNUDPQNQO-UHFFFAOYSA-N |
| TotalMolweight | 408.287 |
| Molweight | 408.287 |
| MonoisotopicMass | 407.059216 |
| CLogP | 5.3168 |
| CLogS | -5.696 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 300.47 |
| Relative PSA | 0.16461 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 2.2864 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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