[(Z)-(2,6-dichloropyridin-4-yl)methylideneamino] 2-(trifluoromethyl)benzoate
Formula:C14H7N2O2Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(2,6-dichloropyridin-4-yl)methylideneamino] 2-(trifluoromethyl)benzoate is not a drug-like molecule.
| MolName | [(Z)-(2,6-dichloropyridin-4-yl)methylideneamino] 2-(trifluoromethyl)benzoate |
| MolecularFormula | C14H7N2O2Cl2F3 |
| Smiles | O=C(c1c(C(F)(F)F)cccc1)O/N=C\c1cc(Cl)nc(Cl)c1 |
| InChI | InChI=1S/C14H7Cl2F3N2O2/c15-11-5-8(6-12(16)21-11)7-20-23-13(22)9-3-1-2-4-10(9)14(17,18)19/h1-7H |
| InChIK | FEEXRNSPVKXXCJ-UHFFFAOYSA-N |
| TotalMolweight | 363.122 |
| Molweight | 363.122 |
| MonoisotopicMass | 361.983666 |
| CLogP | 5.1723 |
| CLogS | -4.752 |
| H Acceptors | 4 |
| TotalSurfaceArea | 244.59 |
| Relative PSA | 0.18611 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -10.478 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-(2,6-dichloropyridin-4-yl)methylideneamino] 2-(trifluoromethyl)benzoate | 2 - [(Z)-(2,6-dichloropyridin-4-yl)methylideneamino] 2-(trifluoromethyl)benzoate
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