Molecule ID: mol8469
SMILES: Cc1cc(N)cc(C)c1C(=O)O
InChI: InChI=1S/C9H11NO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.49 | IUPAC digitized pKa | 1 » 0 |
| 2.65 | AttenGpKa training set | 1 » 0 |
| 4.70 | IUPAC digitized pKa | 0 » -1 |
| 4.90 | AttenGpKa training set | 0 » -1 |