Molecule ID: mol2251
SMILES: COc1ccc(CN)cc1
InChI: InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.47 | IUPAC digitized pKa | 1 » 0 |
| 9.47 | OCHEM | 1 » 0 |
| 9.47 | Hunt | 1 » 0 |
| 9.50 | IUPAC digitized pKa | 1 » 0 |
| 9.51 | IUPAC digitized pKa | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.53 | AttenGpKa training set | 1 » 0 |
| 9.56 | IUPAC digitized pKa | 1 » 0 |
| 9.67 | Datawarrior | 1 » 0 |
| 9.67 | OCHEM | 1 » 0 |