[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2,5-dichloropyridine-3-carboxylate
Formula:C13H6N2O2Cl3F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2,5-dichloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2,5-dichloropyridine-3-carboxylate |
| MolecularFormula | C13H6N2O2Cl3F |
| Smiles | O=C(c1cc(Cl)cnc1Cl)O/N=C\c(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C13H6Cl3FN2O2/c14-8-4-9(12(16)18-6-8)13(20)21-19-5-7-1-2-11(17)10(15)3-7/h1-6H |
| InChIK | VCLJYMBELJFQML-UHFFFAOYSA-N |
| TotalMolweight | 347.56 |
| Molweight | 347.56 |
| MonoisotopicMass | 345.947887 |
| CLogP | 4.9334 |
| CLogS | -5.261 |
| H Acceptors | 4 |
| TotalSurfaceArea | 236.9 |
| Relative PSA | 0.19215 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -4.6275 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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