Molecule ID: mol4445
SMILES: COc1cccc2cccnc12
InChI: InChI=1S/C10H9NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.75 | QSARToolbox | 1 » 0 |
| 4.88 | Datawarrior | 1 » 0 |
| 4.88 | OCHEM | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.01 | IUPAC digitized pKa | 1 » 0 |
| 5.01 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.01 | OCHEM | 1 » 0 |
| 5.01 | OCHEM | 1 » 0 |