5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-sulfonate
Formula:C11H8N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-sulfonate is a drug-like molecule.
| MolName | 5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-sulfonate |
| MolecularFormula | C11H8N3O5S |
| Smiles | [O-]S(c1ccc(/C=N\NC(c2ccncc2)=O)o1)(=O)=O |
| InChI | InChI=1S/C11H9N3O5S/c15-11(8-3-5-12-6-4-8)14-13-7-9-1-2-10(19-9)20(16,17)18/h1-7H,(H,14,15)(H,16,17,18)/p-1 |
| InChIK | FCDYLLCUDDRTKT-UHFFFAOYSA-M |
| TotalMolweight | 294.267 |
| Molweight | 294.267 |
| MonoisotopicMass | 294.018467 |
| CLogP | -1.9901 |
| CLogS | -0.977 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 211.55 |
| Relative PSA | 0.49137 |
| PolarSurfaceArea | 133.07 |
| Druglikeness | 1.3754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| 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 | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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