[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 4-fluorobenzoate
Molecular Formula : C19H12N2O2ClF | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 4-fluorobenzoate is a drug-like molecule.
MolName : [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 4-fluorobenzoate |
MolecularFormula : C19H12N2O2ClF |
Smiles : O=C(c(cc1)ccc1F)O/N=C(/c(cc1)ccc1Cl)\c1ccncc1 |
InChI : InChI=1S/C19H12ClFN2O2/c20-16-5-1-13(2-6-16)18(14-9-11-22-12-10-14)23-25-19(24)15-3-7-17(21)8-4-15/h1-12H |
InChIK : HVBJLYLHCYSWCL-UHFFFAOYSA-N |
TotalMolweight : 354.767 |
Molweight : 354.767 |
MonoisotopicMass : 354.057133 |
CLogP : 4.8207 |
CLogS : -5.802 |
H Acceptors : 4 |
TotalSurfaceArea : 264.03 |
Relative PSA : 0.1724 |
PolarSurfaceArea : 51.55 |
Druglikeness : -3.8397 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.56 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 1 |
Symmetricatoms : 6 |
Aromatic Nitrogens : 1 |
StereoCon : |