[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
Formula:C20H15N2O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate |
| MolecularFormula | C20H15N2O2Cl |
| Smiles | O=C(c(cccc1)c1Cl)Oc1ccc(/C=N\Nc2ccccc2)cc1 |
| InChI | InChI=1S/C20H15ClN2O2/c21-19-9-5-4-8-18(19)20(24)25-17-12-10-15(11-13-17)14-22-23-16-6-2-1-3-7-16/h1-14,23H |
| InChIK | FGMURURFJLCUCG-UHFFFAOYSA-N |
| TotalMolweight | 350.804 |
| Molweight | 350.804 |
| MonoisotopicMass | 350.082205 |
| CLogP | 6.8774 |
| CLogS | -5.355 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.17 |
| Relative PSA | 0.16905 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.7873 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate | 2 - [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
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