Molecule ID: mol1401
SMILES: C[n+]1cccc2cc(O)ccc21
InChI: InChI=1S/C10H9NO/c1-11-6-2-3-8-7-9(12)4-5-10(8)11/h2-7H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.12 | Hunt | 1 » 0 |
| 7.15 | Datawarrior | 1 » 0 |
| 7.15 | AttenGpKa training set | 1 » 0 |
| 7.15 | QSARToolbox | 1 » 0 |
| 7.15 | OCHEM | 1 » 0 |