Molecule ID: mol1169
SMILES: NCc1ccc2c(c1)OCO2
InChI: InChI=1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.37 | QSARToolbox | 1 » 0 |
| 9.37 | IUPAC digitized pKa | 1 » 0 |
| 9.37 | Hunt | 1 » 0 |
| 9.37 | OCHEM | 1 » 0 |
| 9.37 | AttenGpKa training set | 1 » 0 |