[(Z)-(2-oxo-1,2-diphenylethylidene)amino] benzoate
Formula:C21H15NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(2-oxo-1,2-diphenylethylidene)amino] benzoate is a drug-like molecule.
| MolName | [(Z)-(2-oxo-1,2-diphenylethylidene)amino] benzoate |
| MolecularFormula | C21H15NO3 |
| Smiles | O=C(/C(/c1ccccc1)=N\OC(c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C21H15NO3/c23-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)22-25-21(24)18-14-8-3-9-15-18/h1-15H |
| InChIK | QPEVDCROSJPIIE-UHFFFAOYSA-N |
| TotalMolweight | 329.354 |
| Molweight | 329.354 |
| MonoisotopicMass | 329.105194 |
| CLogP | 4.4096 |
| CLogS | -5.447 |
| H Acceptors | 4 |
| TotalSurfaceArea | 261.25 |
| Relative PSA | 0.18216 |
| PolarSurfaceArea | 55.73 |
| Druglikeness | -1.4666 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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