Molecule ID: mol3319
SMILES: Nc1ccc(O)c(N)c1O
InChI: InChI=1S/C6H8N2O2/c7-3-1-2-4(9)5(8)6(3)10/h1-2,9-10H,7-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | IUPAC digitized pKa | 2 » 1 |
| 2.90 | QSARToolbox | 2 » 1 |
| 2.90 | QSARToolbox | 2 » 1 |
| 5.60 | QSARToolbox | 1 » 0 |
| 5.60 | IUPAC digitized pKa | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 9.30 | IUPAC digitized pKa | 0 » -1 |
| 9.30 | OCHEM | 0 » -1 |
| 9.30 | QSARToolbox | 0 » -1 |
| 11.50 | IUPAC digitized pKa | -1 » -2 |
| 11.50 | OCHEM | -1 » -2 |
| 11.50 | OCHEM | -1 » -2 |