4-[(2Z)-2-(2,2,2-trifluoroethylidene)hydrazinyl]benzoic acid
Molecular Formula : C9H7N2O2F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-[(2Z)-2-(2,2,2-trifluoroethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
MolName : 4-[(2Z)-2-(2,2,2-trifluoroethylidene)hydrazinyl]benzoic acid |
MolecularFormula : C9H7N2O2F3 |
Smiles : OC(c(cc1)ccc1N/N=C\C(F)(F)F)=O |
InChI : InChI=1S/C9H7F3N2O2/c10-9(11,12)5-13-14-7-3-1-6(2-4-7)8(15)16/h1-5,14H,(H,15,16) |
InChIK : VEMVEXLCUQSWPV-UHFFFAOYSA-N |
TotalMolweight : 232.161 |
Molweight : 232.161 |
MonoisotopicMass : 232.045962 |
CLogP : 3.0556 |
CLogS : -2.654 |
H Acceptors : 4 |
H Donors : 2 |
TotalSurfaceArea : 163.04 |
Relative PSA : 0.30121 |
PolarSurfaceArea : 61.69 |
Druglikeness : -5.329 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.6875 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 1 |
Small Rings : 1 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 2 |
Symmetricatoms : 4 |
AcidicOxygens : 1 |
StereoCon : |