[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino] 2-chloropyridine-3-carboxylate
Formula:C14H8N2O2ClF3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino] 2-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(Z)-[3-(trifluoromethyl)phenyl]methylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C14H8N2O2ClF3 |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C14H8ClF3N2O2/c15-12-11(5-2-6-19-12)13(21)22-20-8-9-3-1-4-10(7-9)14(16,17)18/h1-8H |
| InChIK | APYNEKOACFPVMG-UHFFFAOYSA-N |
| TotalMolweight | 328.677 |
| Molweight | 328.677 |
| MonoisotopicMass | 328.022639 |
| CLogP | 4.4689 |
| CLogS | -4.253 |
| H Acceptors | 4 |
| TotalSurfaceArea | 229.17 |
| Relative PSA | 0.19863 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -10.478 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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