(E)-N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylprop-2-enamide
Formula:C16H13N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylprop-2-enamide |
| MolecularFormula | C16H13N2OCl |
| Smiles | O=C(/C=C/c1ccccc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C16H13ClN2O/c17-15-9-5-4-8-14(15)12-18-19-16(20)11-10-13-6-2-1-3-7-13/h1-12H,(H,19,20) |
| InChIK | OXUFKZCQXWZJJP-UHFFFAOYSA-N |
| TotalMolweight | 284.745 |
| Molweight | 284.745 |
| MonoisotopicMass | 284.07164 |
| CLogP | 4.1368 |
| CLogS | -4.827 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 228.91 |
| Relative PSA | 0.15731 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1777 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylprop-2-enamide | 2 - (E)-N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenylprop-2-enamide
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