[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-(trifluoromethyl)benzoate
Formula:C15H8NO2ClF4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-(trifluoromethyl)benzoate is not a drug-like molecule.
| MolName | [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-(trifluoromethyl)benzoate |
| MolecularFormula | C15H8NO2ClF4 |
| Smiles | O=C(c1c(C(F)(F)F)cccc1)O/N=C\c(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C15H8ClF4NO2/c16-12-7-9(5-6-13(12)17)8-21-23-14(22)10-3-1-2-4-11(10)15(18,19)20/h1-8H |
| InChIK | NNRLTIUPMCLMOC-UHFFFAOYSA-N |
| TotalMolweight | 345.679 |
| Molweight | 345.679 |
| MonoisotopicMass | 345.017968 |
| CLogP | 5.4732 |
| CLogS | -5.599 |
| H Acceptors | 3 |
| TotalSurfaceArea | 236.76 |
| Relative PSA | 0.14593 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -10.478 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-(trifluoromethyl)benzoate | 2 - [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 2-(trifluoromethyl)benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off