4-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]benzoic acid
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 |
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1 - 4-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]benzoic acid
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