Molecule ID: mol1609
SMILES: CC(C)(C)c1ccnc(N)n1
InChI: InChI=1S/C8H13N3/c1-8(2,3)6-4-5-10-7(9)11-6/h4-5H,1-3H3,(H2,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | QSARToolbox | 1 » 0 |
| 4.58 | IUPAC digitized pKa | 1 » 0 |
| 4.58 | Hunt | 1 » 0 |
| 4.58 | OCHEM | 1 » 0 |