Molecule ID: mol6185
SMILES: Cc1cc(C)c(C(=O)NCCN(C)C)c(C)c1
InChI: InChI=1S/C14H22N2O/c1-10-8-11(2)13(12(3)9-10)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 |
|---|---|---|
| 7.95 | IUPAC digitized pKa | 1 » 0 |
| 7.95 | AttenGpKa training set | 1 » 0 |