Molecule ID: mol2398
SMILES: CCN(CC)c1cccc(C)c1
InChI: InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | IUPAC digitized pKa | 1 » 0 |
| 6.70 | OCHEM | 1 » 0 |
| 6.72 | AttenGpKa training set | 1 » 0 |
| 7.12 | IUPAC digitized pKa | 1 » 0 |
| 7.12 | Hunt | 1 » 0 |