Molecule ID: mol3529
SMILES: Nc1cccc2cc(O)ccc12
InChI: InChI=1S/C10H9NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.97 | IUPAC digitized pKa | 1 » 0 |
| 3.97 | OCHEM | 1 » 0 |
| 3.97 | AttenGpKa training set | 1 » 0 |
| 3.97 | QSARToolbox | 1 » 0 |