Molecule ID: mol3434
SMILES: CC(N)Cc1ccc2c(c1)OCO2
InChI: InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.67 | IUPAC digitized pKa | 1 » 0 |
| 9.67 | Datawarrior | 1 » 0 |
| 9.67 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.67 | OCHEM | 1 » 0 |
| 9.67 | OCHEM | 1 » 0 |
| 9.67 | AttenGpKa training set | 1 » 0 |
| 9.67 | OCHEM | 1 » 0 |