3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoic acid
Formula:C13H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C13H11N3O2 |
| Smiles | OC(c1cc(N/N=C\c2ccncc2)ccc1)=O |
| InChI | InChI=1S/C13H11N3O2/c17-13(18)11-2-1-3-12(8-11)16-15-9-10-4-6-14-7-5-10/h1-9,16H,(H,17,18) |
| InChIK | FSVUUSKWDKROFT-UHFFFAOYSA-N |
| TotalMolweight | 241.249 |
| Molweight | 241.249 |
| MonoisotopicMass | 241.085127 |
| CLogP | 3.3251 |
| CLogS | -2.367 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 192.1 |
| Relative PSA | 0.31275 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 1.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoic acid | 2 - 3-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]benzoic acid
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