[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-chlorobenzoate
Formula:C14H8NO2Cl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-chlorobenzoate |
| MolecularFormula | C14H8NO2Cl2F |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C\c(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C14H8Cl2FNO2/c15-11-4-2-10(3-5-11)14(19)20-18-8-9-1-6-13(17)12(16)7-9/h1-8H |
| InChIK | BDVPZKIKHRICRK-UHFFFAOYSA-N |
| TotalMolweight | 312.127 |
| Molweight | 312.127 |
| MonoisotopicMass | 310.991611 |
| CLogP | 5.2309 |
| CLogS | -5.557 |
| H Acceptors | 3 |
| TotalSurfaceArea | 222.72 |
| Relative PSA | 0.15513 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -4.6275 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-chlorobenzoate | 2 - [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-chlorobenzoate
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