Molecule ID: mol398
SMILES: Cc1ccc(C)c(N2CCN(C3CCCCCC3)CC2)c1
InChI: InChI=1S/C19H30N2/c1-16-9-10-17(2)19(15-16)21-13-11-20(12-14-21)18-7-5-3-4-6-8-18/h9-10,15,18H,3-8,11-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.54 | OCHEM | 1 » 0 |
| 7.54 | Settimo | 1 » 0 |
| 7.54 | AvLiLuMoVe | 1 » 0 |