Molecule ID: mol20751
SMILES: CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
InChI: InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.40 | Baltruschat ChEMBL | 1 » 0 |