Molecule ID: mol3531
SMILES: Nc1ccc2c(O)cccc2c1
InChI: InChI=1S/C10H9NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,12H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | OCHEM | 1 » 0 |
| 4.07 | IUPAC digitized pKa | 1 » 0 |
| 4.07 | OCHEM | 1 » 0 |
| 4.07 | AttenGpKa training set | 1 » 0 |
| 4.70 | QSARToolbox | 1 » 0 |
| 9.84 | OCHEM | 0 » -1 |