4-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]benzoic acid
Formula:C16H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C16H12N4O2 |
| Smiles | OC(c(cc1)ccc1N/N=C\c1cc2nccnc2cc1)=O |
| InChI | InChI=1S/C16H12N4O2/c21-16(22)12-2-4-13(5-3-12)20-19-10-11-1-6-14-15(9-11)18-8-7-17-14/h1-10,20H,(H,21,22) |
| InChIK | YARNNPMHKWLMOC-UHFFFAOYSA-N |
| TotalMolweight | 292.297 |
| Molweight | 292.297 |
| MonoisotopicMass | 292.096026 |
| CLogP | 3.7636 |
| CLogS | -2.968 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 225.46 |
| Relative PSA | 0.31513 |
| PolarSurfaceArea | 87.47 |
| Druglikeness | 1.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-(quinoxalin-6-ylmethylidene)hydrazinyl]benzoic acid
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