[(Z)-(4-chlorophenyl)methylideneamino] (E)-3-phenylprop-2-enoate
Formula:C16H12NO2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-chlorophenyl)methylideneamino] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [(Z)-(4-chlorophenyl)methylideneamino] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C16H12NO2Cl |
| Smiles | O=C(/C=C/c1ccccc1)O/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C16H12ClNO2/c17-15-9-6-14(7-10-15)12-18-20-16(19)11-8-13-4-2-1-3-5-13/h1-12H |
| InChIK | LHYGNEPQWCAIKH-UHFFFAOYSA-N |
| TotalMolweight | 285.729 |
| Molweight | 285.729 |
| MonoisotopicMass | 285.055656 |
| CLogP | 4.8533 |
| CLogS | -4.877 |
| H Acceptors | 3 |
| TotalSurfaceArea | 227.45 |
| Relative PSA | 0.1519 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -4.019 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| 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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