Molecule ID: mol11902
SMILES: Oc1ccc(N=Nc2nc3ccccc3s2)c(O)c1
InChI: InChI=1S/C13H9N3O2S/c17-8-5-6-9(11(18)7-8)15-16-13-14-10-3-1-2-4-12(10)19-13/h1-7,17-18H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | IUPAC digitized pKa | 1 » 0 |
| 5.79 | IUPAC digitized pKa | 0 » -1 |
| 10.27 | IUPAC digitized pKa | -1 » -2 |