4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid
Formula:C14H11N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C14H11N3O3 |
| Smiles | OC(c1ccc(/C=N\NC(c2ccncc2)=O)cc1)=O |
| InChI | InChI=1S/C14H11N3O3/c18-13(11-5-7-15-8-6-11)17-16-9-10-1-3-12(4-2-10)14(19)20/h1-9H,(H,17,18)(H,19,20) |
| InChIK | GNNVCXYLDLOUOZ-UHFFFAOYSA-N |
| TotalMolweight | 269.259 |
| Molweight | 269.259 |
| MonoisotopicMass | 269.080042 |
| CLogP | 1.6858 |
| CLogS | -2.939 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 209.85 |
| Relative PSA | 0.34844 |
| PolarSurfaceArea | 91.65 |
| Druglikeness | 4.1625 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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