Molecule ID: mol629
SMILES: CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2
InChI: InChI=1S/C16H24N2O2/c1-3-8-18(9-4-2)10-7-12-5-6-14(19)16-13(12)11-15(20)17-16/h5-6,19H,3-4,7-11H2,1-2H3,(H,17,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.35 | OCHEM | 1 » 0 |
| 8.35 | Hunt | 1 » 0 |
| 8.35 | Hunt | 1 » 0 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | Hunt | 0 » -1 |