| MolName | [(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino] 2-chloro-6-fluorobenzoate |
| MolecularFormula | C15H8NO3ClF4 |
| Smiles | O=C(c(c(F)ccc1)c1Cl)O/N=C\c(cccc1)c1OC(F)(F)F |
| InChI | InChI=1S/C15H8ClF4NO3/c16-10-5-3-6-11(17)13(10)14(22)24-21-8-9-4-1-2-7-12(9)23-15(18,19)20/h1-8H |
| InChIK | PSVMCKMXZOEUAC-UHFFFAOYSA-N |
| TotalMolweight | 361.678 |
| Molweight | 361.678 |
| MonoisotopicMass | 361.012883 |
| CLogP | 5.7239 |
| CLogS | -5.844 |
| H Acceptors | 4 |
| TotalSurfaceArea | 246.76 |
| Relative PSA | 0.18054 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -11.272 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino] 2-chloro-6-fluorobenzoate | 2 - [(Z)-[2-(trifluoromethoxy)phenyl]methylideneamino] 2-chloro-6-fluorobenzoate