2-(4-chlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C17H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H15N2OCl |
| Smiles | O=C(Cc(cc1)ccc1Cl)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H15ClN2O/c18-16-10-8-15(9-11-16)13-17(21)20-19-12-4-7-14-5-2-1-3-6-14/h1-12H,13H2,(H,20,21) |
| InChIK | MTEYAUXAALMRKH-UHFFFAOYSA-N |
| TotalMolweight | 298.772 |
| Molweight | 298.772 |
| MonoisotopicMass | 298.08729 |
| CLogP | 3.824 |
| CLogS | -4.714 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 242.67 |
| Relative PSA | 0.14839 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.43 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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