Molecule ID: mol7203
SMILES: CC(C)(C)c1ccnc(O)n1
InChI: InChI=1S/C8H12N2O/c1-8(2,3)6-4-5-9-7(11)10-6/h4-5H,1-3H3,(H,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.29 | QSARToolbox | 1 » 0 |
| 2.78 | QSARToolbox | 1 » 0 |
| 2.78 | IUPAC digitized pKa | 1 » 0 |
| 10.29 | IUPAC digitized pKa | 0 » -1 |