5-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]furan-2-sulfonic acid
Formula:C11H10N2O5S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]furan-2-sulfonic acid is a drug-like molecule.
| MolName | 5-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]furan-2-sulfonic acid |
| MolecularFormula | C11H10N2O5S2 |
| Smiles | OS(c1ccc(/C=N\NC(Cc2cccs2)=O)o1)(=O)=O |
| InChI | InChI=1S/C11H10N2O5S2/c14-10(6-9-2-1-5-19-9)13-12-7-8-3-4-11(18-8)20(15,16)17/h1-5,7H,6H2,(H,13,14)(H,15,16,17) |
| InChIK | RGTFEFQKMRUXQQ-UHFFFAOYSA-N |
| TotalMolweight | 314.341 |
| Molweight | 314.341 |
| MonoisotopicMass | 314.003113 |
| CLogP | 0.1231 |
| CLogS | -1.747 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 221.31 |
| Relative PSA | 0.5068 |
| PolarSurfaceArea | 145.59 |
| Druglikeness | 6.5155 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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