5-[(Z)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid
Formula:C19H14N2O6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid is a drug-like molecule.
| MolName | 5-[(Z)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonic acid |
| MolecularFormula | C19H14N2O6S |
| Smiles | OS(c1ccc(/C=N\NC(C2c(cccc3)c3Oc3c2cccc3)=O)o1)(=O)=O |
| InChI | InChI=1S/C19H14N2O6S/c22-19(21-20-11-12-9-10-17(26-12)28(23,24)25)18-13-5-1-3-7-15(13)27-16-8-4-2-6-14(16)18/h1-11,18H,(H,21,22)(H,23,24,25) |
| InChIK | XHQHAPTUMPYPEQ-UHFFFAOYSA-N |
| TotalMolweight | 398.394 |
| Molweight | 398.394 |
| MonoisotopicMass | 398.057258 |
| CLogP | 1.3561 |
| CLogS | -4.097 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 280.37 |
| Relative PSA | 0.36309 |
| PolarSurfaceArea | 126.58 |
| Druglikeness | 6.2353 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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