Molecule ID: mol17030
SMILES: O=c1cc(CN2CCCCC2)n(CCN2CCCCC2)cc1O
InChI: InChI=1S/C18H29N3O2/c22-17-13-16(14-20-9-5-2-6-10-20)21(15-18(17)23)12-11-19-7-3-1-4-8-19/h13,15,23H,1-12,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.16 | Baltruschat ChEMBL | 3 » 2 |
| 2.04 | Baltruschat ChEMBL | 3 » 2 |
| 7.58 | Baltruschat ChEMBL | 2 » 1 |
| 7.60 | Baltruschat ChEMBL | 1 » 0 |
| 8.83 | Baltruschat ChEMBL | 0 » -1 |
| 8.95 | Baltruschat ChEMBL | 0 » -1 |