Molecule ID: mol29371
SMILES: C[N+](C)(C)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]
InChI: InChI=1S/C12H17NO3/c1-13(2,3)11(12(15)16)8-9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3,(H-,14,15,16)/t11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | QSARToolbox | 1 » 0 |
| 9.80 | AttenGpKa training set | 0 » -1 |