Molecule ID: mol5330
SMILES: C[N+](C)(C)c1cccc(C(=O)O)c1
InChI: InChI=1S/C10H13NO2/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.16 | QSARToolbox | 1 » 0 |
| 3.22 | IUPAC digitized pKa | 1 » 0 |
| 3.32 | AttenGpKa training set | 1 » 0 |
| 3.45 | QSARToolbox | 1 » 0 |