5-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid
Formula:C11H9N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid is a drug-like molecule.
| MolName | 5-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid |
| MolecularFormula | C11H9N3O5S |
| Smiles | OS(c1ccc(/C=N\NC(c2cnccc2)=O)o1)(=O)=O |
| InChI | InChI=1S/C11H9N3O5S/c15-11(8-2-1-5-12-6-8)14-13-7-9-3-4-10(19-9)20(16,17)18/h1-7H,(H,14,15)(H,16,17,18) |
| InChIK | CJTVGYHSLPCLBE-UHFFFAOYSA-N |
| TotalMolweight | 295.274 |
| Molweight | 295.274 |
| MonoisotopicMass | 295.026292 |
| CLogP | -0.7425 |
| CLogS | -0.977 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 210.37 |
| Relative PSA | 0.48852 |
| PolarSurfaceArea | 130.24 |
| Druglikeness | 6.2597 |
| 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 | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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