Molecule ID: mol19124
SMILES: Cn1c2cc([S+]([O-])CCCN3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
InChI: InChI=1S/C28H26ClN3O4S/c1-31-20-15-23(37(36)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.50 | Baltruschat ChEMBL | -1 » -2 |