Molecule ID: mol25455
SMILES: Cc1[nH]nc(C(C)(C)C)c1[N+](=O)[O-]
InChI: InChI=1S/C8H13N3O2/c1-5-6(11(12)13)7(10-9-5)8(2,3)4/h1-4H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.92 | AttenGpKa training set | 0 » -1 |
| 10.92 | AttenGpKa training set | 0 » -1 |