Molecule ID: mol3335
SMILES: Nc1cc(N)c(O)c(N)c1O
InChI: InChI=1S/C6H9N3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.20 | IUPAC digitized pKa | 3 » 2 |
| 1.20 | OCHEM | 3 » 2 |
| 1.20 | QSARToolbox | 3 » 2 |
| 1.20 | QSARToolbox | 3 » 2 |
| 3.60 | QSARToolbox | 2 » 1 |
| 3.60 | IUPAC digitized pKa | 2 » 1 |
| 5.80 | IUPAC digitized pKa | 1 » 0 |
| 5.80 | OCHEM | 1 » 0 |
| 5.80 | QSARToolbox | 1 » 0 |
| 10.10 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 11.90 | IUPAC digitized pKa | -1 » -2 |
| 11.90 | OCHEM | -1 » -2 |