Molecule ID: mol6183
SMILES: Cc1ccc(C)c(C(=O)NCCN(C)C)c1C
InChI: InChI=1S/C14H22N2O/c1-10-6-7-11(2)13(12(10)3)14(17)15-8-9-16(4)5/h6-7H,8-9H2,1-5H3,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.07 | IUPAC digitized pKa | 1 » 0 |
| 8.07 | AttenGpKa training set | 1 » 0 |