(E)-3-(4-chlorophenyl)-N-phenylprop-2-enamide
Formula:C15H12NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-phenylprop-2-enamide |
| MolecularFormula | C15H12NOCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc1ccccc1 |
| InChI | InChI=1S/C15H12ClNO/c16-13-9-6-12(7-10-13)8-11-15(18)17-14-4-2-1-3-5-14/h1-11H,(H,17,18) |
| InChIK | SKAAIEVEVCBTTH-UHFFFAOYSA-N |
| TotalMolweight | 257.719 |
| Molweight | 257.719 |
| MonoisotopicMass | 257.060741 |
| CLogP | 3.7423 |
| CLogS | -4.234 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 204.15 |
| Relative PSA | 0.12001 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.36294 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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