Molecule ID: mol19617
SMILES: Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCN(Cc1ccccc1)C2=O
InChI: InChI=1S/C30H28N2O5S/c1-21-25(18-23-12-8-9-15-27(23)38(36,37)24-13-6-3-7-14-24)29-26(32(21)20-28(33)34)16-17-31(30(29)35)19-22-10-4-2-5-11-22/h2-15H,16-20H2,1H3,(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | Baltruschat ChEMBL | 0 » -1 |