4-[(Z)-[(N-phenyl-C-pyridin-2-ylcarbonimidoyl)hydrazinylidene]methyl]benzoic acid
Formula:C20H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(N-phenyl-C-pyridin-2-ylcarbonimidoyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(N-phenyl-C-pyridin-2-ylcarbonimidoyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C20H16N4O2 |
| Smiles | OC(c1ccc(/C=N\N/C(/c2ncccc2)=N/c2ccccc2)cc1)=O |
| InChI | InChI=1S/C20H16N4O2/c25-20(26)16-11-9-15(10-12-16)14-22-24-19(18-8-4-5-13-21-18)23-17-6-2-1-3-7-17/h1-14H,(H,23,24)(H,25,26) |
| InChIK | DNEKRRUPMDZLAS-UHFFFAOYSA-N |
| TotalMolweight | 344.373 |
| Molweight | 344.373 |
| MonoisotopicMass | 344.127326 |
| CLogP | 3.1803 |
| CLogS | -4.181 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 274.83 |
| Relative PSA | 0.26049 |
| PolarSurfaceArea | 86.94 |
| Druglikeness | 2.2293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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