5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid
Formula:C11H9N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid is a drug-like molecule.
| MolName | 5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid |
| MolecularFormula | C11H9N3O5S |
| Smiles | OS(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) |
| InChIK | FCDYLLCUDDRTKT-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 | 6.4935 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| 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 | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid | 2 - 5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off