Molecule ID: mol2099
SMILES: Cc1ccccc1CN
InChI: InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.19 | IUPAC digitized pKa | 1 » 0 |
| 9.19 | OCHEM | 1 » 0 |
| 9.19 | Hunt | 1 » 0 |
| 9.19 | OCHEM | 1 » 0 |
| 9.23 | OCHEM | 1 » 0 |
| 9.23 | Datawarrior | 1 » 0 |
| 9.23 | AttenGpKa training set | 1 » 0 |