[(Z)-(2,6-difluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate
Formula:C13H7N2O2ClF2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2,6-difluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(Z)-(2,6-difluorophenyl)methylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C13H7N2O2ClF2 |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C13H7ClF2N2O2/c14-12-8(3-2-6-17-12)13(19)20-18-7-9-10(15)4-1-5-11(9)16/h1-7H |
| InChIK | JNWLOUJCADJTEA-UHFFFAOYSA-N |
| TotalMolweight | 296.66 |
| Molweight | 296.66 |
| MonoisotopicMass | 296.016411 |
| CLogP | 3.8222 |
| CLogS | -4.103 |
| H Acceptors | 4 |
| TotalSurfaceArea | 212.41 |
| Relative PSA | 0.2143 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -4.6275 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| 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 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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