Molecule ID: mol25541
SMILES: CC(C)(C)c1n[nH]c(C(C)(C)C)c1[N+](=O)[O-]
InChI: InChI=1S/C11H19N3O2/c1-10(2,3)8-7(14(15)16)9(13-12-8)11(4,5)6/h1-6H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.12 | AttenGpKa training set | 1 » 0 |
| 11.29 | AttenGpKa training set | 0 » -1 |