Molecule ID: mol4331
SMILES: Oc1nccc2ccccc12
InChI: InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.20 | QSARToolbox | 1 » 0 |
| -1.20 | Datawarrior | 1 » 0 |
| -1.20 | OCHEM | 1 » 0 |
| -1.20 | AttenGpKa training set | 1 » 0 |