Molecule ID: mol3336
SMILES: Nc1cc(N)c(O)c(N)c1
InChI: InChI=1S/C6H9N3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | IUPAC digitized pKa | 3 » 2 |
| 1.00 | QSARToolbox | 3 » 2 |
| 1.00 | QSARToolbox | 3 » 2 |
| 1.30 | OCHEM | 3 » 2 |
| 2.80 | OCHEM | 2 » 1 |
| 3.10 | QSARToolbox | 2 » 1 |
| 3.10 | IUPAC digitized pKa | 2 » 1 |
| 6.00 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 10.50 | IUPAC digitized pKa | 0 » -1 |
| 10.50 | OCHEM | 0 » -1 |