4-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]benzoic acid
Molecular Formula : C16H12N4O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
MolName : 4-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]benzoic acid |
MolecularFormula : C16H12N4O2 |
Smiles : OC(c(cc1)ccc1N/N=C\c1cc2nccnc2cc1)=O |
InChI : InChI=1S/C16H12N4O2/c21-16(22)12-2-4-13(5-3-12)20-19-10-11-1-6-14-15(9-11)18-8-7-17-14/h1-10,20H,(H,21,22) |
InChIK : YARNNPMHKWLMOC-UHFFFAOYSA-N |
TotalMolweight : 292.297 |
Molweight : 292.297 |
MonoisotopicMass : 292.096026 |
CLogP : 3.7636 |
CLogS : -2.968 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 225.46 |
Relative PSA : 0.31513 |
PolarSurfaceArea : 87.47 |
Druglikeness : 1.861 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
AcidicOxygens : 1 |
StereoCon : |