Molecule ID: mol21032
SMILES: COC(=O)CC1c2ccc(Cl)cc2NC(=O)C1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C18H15ClN2O7S/c1-28-16(22)9-14-13-7-2-10(19)8-15(13)20-18(23)17(14)29(26,27)12-5-3-11(4-6-12)21(24)25/h2-8,14,17H,9H2,1H3,(H,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | OCHEM | 0 » -1 |
| 9.90 | Baltruschat ChEMBL | 0 » -1 |