Molecule ID: mol6184
SMILES: Cc1cc(C)c(C(=O)NCCN(C)C)cc1C
InChI: InChI=1S/C14H22N2O/c1-10-8-12(3)13(9-11(10)2)14(17)15-6-7-16(4)5/h8-9H,6-7H2,1-5H3,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.29 | IUPAC digitized pKa | 1 » 0 |
| 8.29 | AttenGpKa training set | 1 » 0 |