(E)-N-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-enamide
Formula:C16H12N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)prop-2-enamide |
| MolecularFormula | C16H12N3OCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C16H12ClN3O/c17-12-8-5-11(6-9-12)7-10-15(21)20-16-18-13-3-1-2-4-14(13)19-16/h1-10H,(H2,18,19,20,21) |
| InChIK | GAWHZPLLJOLUJP-UHFFFAOYSA-N |
| TotalMolweight | 297.744 |
| Molweight | 297.744 |
| MonoisotopicMass | 297.066889 |
| CLogP | 3.7114 |
| CLogS | -4.716 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.08 |
| Relative PSA | 0.21781 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 0.53757 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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