[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate
Formula:C13H7N2O2Cl2F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C13H7N2O2Cl2F |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C13H7Cl2FN2O2/c14-10-6-8(3-4-11(10)16)7-18-20-13(19)9-2-1-5-17-12(9)15/h1-7H |
| InChIK | BAIDLNZVFHWTNN-UHFFFAOYSA-N |
| TotalMolweight | 313.115 |
| Molweight | 313.115 |
| MonoisotopicMass | 311.98686 |
| CLogP | 4.3274 |
| CLogS | -4.525 |
| H Acceptors | 4 |
| TotalSurfaceArea | 221.48 |
| Relative PSA | 0.20553 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -4.6275 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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