Molecule ID: mol8429
SMILES: CN1C2CC=C(C(=O)O)C1CC2
InChI: InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | IUPAC digitized pKa | 1 » 0 |
| 3.93 | OCHEM | 1 » 0 |
| 9.80 | IUPAC digitized pKa | 0 » -1 |
| 10.85 | OCHEM | 0 » -1 |