4-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
Molecular Formula : C14H6N2OClF5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is a drug-like molecule.
MolName : 4-chloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide |
MolecularFormula : C14H6N2OClF5 |
Smiles : O=C(c(cc1)ccc1Cl)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
InChI : InChI=1S/C14H6ClF5N2O/c15-7-3-1-6(2-4-7)14(23)22-21-5-8-9(16)11(18)13(20)12(19)10(8)17/h1-5H,(H,22,23) |
InChIK : RSNCLYZFBDCNQJ-UHFFFAOYSA-N |
TotalMolweight : 348.658 |
Molweight : 348.658 |
MonoisotopicMass : 348.00888 |
CLogP : 4.3116 |
CLogS : -6.027 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 234.16 |
Relative PSA : 0.15378 |
PolarSurfaceArea : 41.46 |
Druglikeness : 3.1315 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
Shape Index : 0.6087 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 3 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Symmetricatoms : 6 |
StereoCon : |