[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-chlorobenzoate
Molecular Formula : C14H8NO2Cl2F | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-chlorobenzoate is not a drug-like molecule.
MolName : [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] 4-chlorobenzoate |
MolecularFormula : C14H8NO2Cl2F |
Smiles : O=C(c(cc1)ccc1Cl)O/N=C\c(cc1)cc(Cl)c1F |
InChI : InChI=1S/C14H8Cl2FNO2/c15-11-4-2-10(3-5-11)14(19)20-18-8-9-1-6-13(17)12(16)7-9/h1-8H |
InChIK : BDVPZKIKHRICRK-UHFFFAOYSA-N |
TotalMolweight : 312.127 |
Molweight : 312.127 |
MonoisotopicMass : 310.991611 |
CLogP : 5.2309 |
CLogS : -5.557 |
H Acceptors : 3 |
TotalSurfaceArea : 222.72 |
Relative PSA : 0.15513 |
PolarSurfaceArea : 38.66 |
Druglikeness : -4.6275 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.7 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
StereoCon : |