Molecule ID: mol5015
SMILES: O=S(=O)(O)c1ccc2nc3ccccc3cc2c1
InChI: InChI=1S/C13H9NO3S/c15-18(16,17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 4.74 | QSARToolbox | 0 » -1 |
| 4.78 | IUPAC digitized pKa | 0 » -1 |
| 4.78 | QSARToolbox | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |