Molecule ID: mol4427
SMILES: O=S(=O)(O)c1cc(N=Nc2ccccc2)c(O)c2ncccc12
InChI: InChI=1S/C15H11N3O4S/c19-15-12(18-17-10-5-2-1-3-6-10)9-13(23(20,21)22)11-7-4-8-16-14(11)15/h1-9,19H,(H,20,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.93 | QSARToolbox | 1 » 0 |
| 3.27 | IUPAC digitized pKa | 0 » -1 |
| 3.34 | OCHEM | 0 » -1 |
| 3.41 | IUPAC digitized pKa | 0 » -1 |
| 3.65 | IUPAC digitized pKa | 0 » -1 |
| 7.61 | IUPAC digitized pKa | -1 » -2 |
| 7.85 | IUPAC digitized pKa | -1 » -2 |
| 8.18 | IUPAC digitized pKa | -1 » -2 |