3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzoic acid
Formula:C12H10N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C12H10N2O2S |
| Smiles | OC(c1cccc(N/N=C\c2cccs2)c1)=O |
| InChI | InChI=1S/C12H10N2O2S/c15-12(16)9-3-1-4-10(7-9)14-13-8-11-5-2-6-17-11/h1-8,14H,(H,15,16) |
| InChIK | NNIKHVCKOCYUQS-UHFFFAOYSA-N |
| TotalMolweight | 246.289 |
| Molweight | 246.289 |
| MonoisotopicMass | 246.046298 |
| CLogP | 4.1926 |
| CLogS | -3.172 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 189.28 |
| Relative PSA | 0.36702 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | 3.8695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzoic acid | 2 - 3-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzoic acid
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