N-[(Z)-pyridin-4-ylmethylideneamino]-4-(trifluoromethyl)aniline
Molecular Formula : C13H10N3F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-pyridin-4-ylmethylideneamino]-4-(trifluoromethyl)aniline is a drug-like molecule.
MolName : N-[(Z)-pyridin-4-ylmethylideneamino]-4-(trifluoromethyl)aniline |
MolecularFormula : C13H10N3F3 |
Smiles : FC(c(cc1)ccc1N/N=C\c1ccncc1)(F)F |
InChI : InChI=1S/C13H10F3N3/c14-13(15,16)11-1-3-12(4-2-11)19-18-9-10-5-7-17-8-6-10/h1-9,19H |
InChIK : PEPGFJAXLRKUCL-UHFFFAOYSA-N |
TotalMolweight : 265.237 |
Molweight : 265.237 |
MonoisotopicMass : 265.082681 |
CLogP : 4.6883 |
CLogS : -3.132 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 197.46 |
Relative PSA : 0.17188 |
PolarSurfaceArea : 37.28 |
Druglikeness : -4.7675 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.68421 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 6 |
Aromatic Nitrogens : 1 |
StereoCon : |