Molecule ID: mol20765
SMILES: CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1cccc2ccccc12
InChI: InChI=1S/C25H30N2O3S/c1-3-27(31(28,29)25-11-6-9-20-8-4-5-10-24(20)25)16-7-15-26-17-14-21-18-23(30-2)13-12-22(21)19-26/h4-6,8-13,18H,3,7,14-17,19H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | Baltruschat ChEMBL | 1 » 0 |