Molecule ID: mol17677
SMILES: COc1cc(NS(=O)(=O)CCCCN)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12
InChI: InChI=1S/C24H25N5O5S/c1-34-23-14-16(28-35(32,33)13-5-4-12-25)8-11-21(23)27-24-18-6-2-3-7-20(18)26-22-15-17(29(30)31)9-10-19(22)24/h2-3,6-11,14-15,28H,4-5,12-13,25H2,1H3,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | Baltruschat ChEMBL | 2 » 1 |