[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate
Formula:C20H16N2O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C20H16N2O2 |
| Smiles | O=C(c1ccccc1)Oc1ccc(/C=N\Nc2ccccc2)cc1 |
| InChI | InChI=1S/C20H16N2O2/c23-20(17-7-3-1-4-8-17)24-19-13-11-16(12-14-19)15-21-22-18-9-5-2-6-10-18/h1-15,22H |
| InChIK | PGOKKUHAILSTRB-UHFFFAOYSA-N |
| TotalMolweight | 316.359 |
| Molweight | 316.359 |
| MonoisotopicMass | 316.121178 |
| CLogP | 6.2714 |
| CLogS | -4.619 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 256.75 |
| Relative PSA | 0.1792 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.7213 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| 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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