(4E)-2-(2-chlorophenyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H9NO2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-2-(2-chlorophenyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-2-(2-chlorophenyl)-4-[(2-chlorophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H9NO2Cl2 |
| Smiles | O=C1OC(c(cccc2)c2Cl)=N/C1=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C16H9Cl2NO2/c17-12-7-3-1-5-10(12)9-14-16(20)21-15(19-14)11-6-2-4-8-13(11)18/h1-9H |
| InChIK | CTBVEQIPSDVXQF-UHFFFAOYSA-N |
| TotalMolweight | 318.158 |
| Molweight | 318.158 |
| MonoisotopicMass | 317.001033 |
| CLogP | 3.8038 |
| CLogS | -5.391 |
| H Acceptors | 3 |
| TotalSurfaceArea | 225.79 |
| Relative PSA | 0.15302 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | 0.9311 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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