N-[(Z)-2,1,3-benzoxadiazol-5-ylmethylideneamino]-4-(trifluoromethyl)benzamide
Molecular Formula : C15H9N4O2F3 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-2,1,3-benzoxadiazol-5-ylmethylideneamino]-4-(trifluoromethyl)benzamide is a drug-like molecule.
MolName : N-[(Z)-2,1,3-benzoxadiazol-5-ylmethylideneamino]-4-(trifluoromethyl)benzamide |
MolecularFormula : C15H9N4O2F3 |
Smiles : O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c1cc2nonc2cc1 |
InChI : InChI=1S/C15H9F3N4O2/c16-15(17,18)11-4-2-10(3-5-11)14(23)20-19-8-9-1-6-12-13(7-9)22-24-21-12/h1-8H,(H,20,23) |
InChIK : YSIXVVFXGWUYNF-UHFFFAOYSA-N |
TotalMolweight : 334.256 |
Molweight : 334.256 |
MonoisotopicMass : 334.06776 |
CLogP : 4.0006 |
CLogS : -4.138 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 238.26 |
Relative PSA : 0.30244 |
PolarSurfaceArea : 80.38 |
Druglikeness : -1.4663 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Aromatic Nitrogens : 2 |
StereoCon : |