(E)-N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide
Formula:C16H11N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-chlorophenyl)-2-cyano-3-phenylprop-2-enamide |
| MolecularFormula | C16H11N2OCl |
| Smiles | N#C/C(/C(Nc1cccc(Cl)c1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C16H11ClN2O/c17-14-7-4-8-15(10-14)19-16(20)13(11-18)9-12-5-2-1-3-6-12/h1-10H,(H,19,20) |
| InChIK | ASJMMKCIIYGKKB-UHFFFAOYSA-N |
| TotalMolweight | 282.729 |
| Molweight | 282.729 |
| MonoisotopicMass | 282.05599 |
| CLogP | 3.5943 |
| CLogS | -4.506 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 224.07 |
| Relative PSA | 0.16986 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -1.7015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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