N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)ethenyl]benzamide
Formula:C22H14N3OCl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)ethenyl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)ethenyl]benzamide |
| MolecularFormula | C22H14N3OCl3 |
| Smiles | O=C(c1ccccc1)N/C(/c1nc(ccc(Cl)c2)c2[nH]1)=C/c(cc(cc1)Cl)c1Cl |
| InChI | InChI=1S/C22H14Cl3N3O/c23-15-6-8-17(25)14(10-15)11-20(28-22(29)13-4-2-1-3-5-13)21-26-18-9-7-16(24)12-19(18)27-21/h1-12H,(H,26,27)(H,28,29) |
| InChIK | LHWCSOURZKUQKJ-UHFFFAOYSA-N |
| TotalMolweight | 442.732 |
| Molweight | 442.732 |
| MonoisotopicMass | 441.020243 |
| CLogP | 5.9228 |
| CLogS | -6.432 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 315.89 |
| Relative PSA | 0.15657 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 2.2864 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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