[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-chloroacetate
Formula:C9H6NO2Cl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-chloroacetate is a drug-like molecule.
| MolName | [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-chloroacetate |
| MolecularFormula | C9H6NO2Cl2F |
| Smiles | O=C(CCl)O/N=C\c(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C9H6Cl2FNO2/c10-4-9(14)15-13-5-6-1-2-8(12)7(11)3-6/h1-3,5H,4H2 |
| InChIK | FQLSVKKUIDCEAR-UHFFFAOYSA-N |
| TotalMolweight | 250.056 |
| Molweight | 250.056 |
| MonoisotopicMass | 248.975961 |
| CLogP | 3.4104 |
| CLogS | -4.052 |
| H Acceptors | 3 |
| TotalSurfaceArea | 176.72 |
| Relative PSA | 0.19551 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -6.0182 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-chloroacetate | 2 - [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-chloroacetate
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