4-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]benzoic acid
Molecular Formula : C12H10N4O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
MolName : 4-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]benzoic acid |
MolecularFormula : C12H10N4O4 |
Smiles : OC(c(cc1)ccc1N/N=C\C(NC(N1)=O)=CC1=O)=O |
InChI : InChI=1S/C12H10N4O4/c17-10-5-9(14-12(20)15-10)6-13-16-8-3-1-7(2-4-8)11(18)19/h1-6,16H,(H,18,19)(H2,14,15,17,20) |
InChIK : VZQWZSAXYLFMOC-UHFFFAOYSA-N |
TotalMolweight : 274.235 |
Molweight : 274.235 |
MonoisotopicMass : 274.070206 |
CLogP : 1.222 |
CLogS : -2.438 |
H Acceptors : 8 |
H Donors : 4 |
TotalSurfaceArea : 203.21 |
Relative PSA : 0.4828 |
PolarSurfaceArea : 119.89 |
Druglikeness : 2.692 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.65 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |