5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid
Formula:C10H8N2O5S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid is a drug-like molecule.
| MolName | 5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid |
| MolecularFormula | C10H8N2O5S2 |
| Smiles | OS(c1ccc(/C=N\NC(c2cccs2)=O)o1)(=O)=O |
| InChI | InChI=1S/C10H8N2O5S2/c13-10(8-2-1-5-18-8)12-11-6-7-3-4-9(17-7)19(14,15)16/h1-6H,(H,12,13)(H,14,15,16) |
| InChIK | JDQJUVQXSKOMLO-UHFFFAOYSA-N |
| TotalMolweight | 300.315 |
| Molweight | 300.315 |
| MonoisotopicMass | 299.987463 |
| CLogP | 0.125 |
| CLogS | -1.782 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 207.55 |
| Relative PSA | 0.5404 |
| PolarSurfaceArea | 145.59 |
| Druglikeness | 6.5033 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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