Molecule ID: mol17685
SMILES: C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCNC(=O)CCN)cc2)c2ccccc21
InChI: InChI=1S/C25H27N5O3S/c1-30-22-8-4-2-6-20(22)25(21-7-3-5-9-23(21)30)28-18-10-12-19(13-11-18)29-34(32,33)17-16-27-24(31)14-15-26/h2-13,29H,14-17,26H2,1H3,(H,27,31)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | Baltruschat ChEMBL | 2 » 1 |