Molecule ID: mol12822
SMILES: Cc1ccc(O)c2ncccc12
InChI: InChI=1S/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.29 | QSARToolbox | 1 » 0 |
| 5.29 | Datawarrior | 1 » 0 |
| 5.29 | OCHEM | 1 » 0 |
| 9.93 | Datawarrior | 0 » -1 |
| 9.93 | OCHEM | 0 » -1 |
| 9.93 | QSARToolbox | 0 » -1 |