Molecule ID: mol1377
SMILES: C[n+]1ccc2c(O)cccc2c1
InChI: InChI=1S/C10H9NO/c1-11-6-5-9-8(7-11)3-2-4-10(9)12/h2-7H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.87 | Hunt | 1 » 0 |
| 6.90 | Datawarrior | 1 » 0 |
| 6.90 | AttenGpKa training set | 1 » 0 |
| 6.90 | QSARToolbox | 1 » 0 |
| 6.90 | QSARToolbox | 1 » 0 |
| 6.90 | OCHEM | 1 » 0 |