Molecule ID: mol395
SMILES: Cc1ccc(C)c(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1
InChI: InChI=1S/C22H32N2/c1-15-3-4-16(2)21(9-15)23-5-7-24(8-6-23)22-19-11-17-10-18(13-19)14-20(22)12-17/h3-4,9,17-20,22H,5-8,10-14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | OCHEM | 1 » 0 |
| 7.60 | AvLiLuMoVe | 1 » 0 |
| 7.60 | Settimo | 1 » 0 |