N-[(Z)-thiophen-3-ylmethylideneamino]-4-(trifluoromethyl)aniline
Molecular Formula : C12H9N2F3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-thiophen-3-ylmethylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
MolName : N-[(Z)-thiophen-3-ylmethylideneamino]-4-(trifluoromethyl)aniline |
MolecularFormula : C12H9N2F3S |
Smiles : FC(c(cc1)ccc1N/N=C\c1cscc1)(F)F |
InChI : InChI=1S/C12H9F3N2S/c13-12(14,15)10-1-3-11(4-2-10)17-16-7-9-5-6-18-8-9/h1-8,17H |
InChIK : OSXWNQQDZFREEO-UHFFFAOYSA-N |
TotalMolweight : 270.277 |
Molweight : 270.277 |
MonoisotopicMass : 270.043852 |
CLogP : 5.4736 |
CLogS : -3.827 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 194.64 |
Relative PSA : 0.22262 |
PolarSurfaceArea : 52.63 |
Druglikeness : -4.3443 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
StereoCon : |