[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-(trifluoromethyl)benzoate
Molecular Formula : C15H8NO2ClF4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-(trifluoromethyl)benzoate is not a drug-like molecule.
MolName : [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-(trifluoromethyl)benzoate |
MolecularFormula : C15H8NO2ClF4 |
Smiles : O=C(c1ccc(C(F)(F)F)cc1)O/N=C\c(cc1)cc(Cl)c1F |
InChI : InChI=1S/C15H8ClF4NO2/c16-12-7-9(1-6-13(12)17)8-21-23-14(22)10-2-4-11(5-3-10)15(18,19)20/h1-8H |
InChIK : DLHKNXMKCJQCCL-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 : 0.65217 |
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 : 4 |
StereoCon : |