[(Z)-(2,4-dichlorophenyl)methylideneamino] benzoate
Formula:C14H9NO2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(2,4-dichlorophenyl)methylideneamino] benzoate is not a drug-like molecule.
| MolName | [(Z)-(2,4-dichlorophenyl)methylideneamino] benzoate |
| MolecularFormula | C14H9NO2Cl2 |
| Smiles | O=C(c1ccccc1)O/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C14H9Cl2NO2/c15-12-7-6-11(13(16)8-12)9-17-19-14(18)10-4-2-1-3-5-10/h1-9H |
| InChIK | PTUCTEBHXVJUEE-UHFFFAOYSA-N |
| TotalMolweight | 294.136 |
| Molweight | 294.136 |
| MonoisotopicMass | 293.001033 |
| CLogP | 5.1301 |
| CLogS | -5.243 |
| H Acceptors | 3 |
| TotalSurfaceArea | 216.37 |
| Relative PSA | 0.15968 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -3.2875 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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