Molecule ID: mol396
SMILES: Cc1ccc(C)c(N2CCN(C3CCC(C)C3)CC2)c1
InChI: InChI=1S/C18H28N2/c1-14-5-7-17(12-14)19-8-10-20(11-9-19)18-13-15(2)4-6-16(18)3/h4,6,13-14,17H,5,7-12H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | AvLiLuMoVe | 1 » 0 |
| 7.50 | Settimo | 1 » 0 |