Molecule ID: mol19122
SMILES: Cn1c2cc(S(=O)(=O)NCCN3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O
InChI: InChI=1S/C27H25ClN4O5S/c1-31-19-14-22(38(36,37)29-8-11-32-9-4-5-10-32)21(33)13-17(19)23-20(31)12-16(15-6-2-3-7-18(15)28)24-25(23)27(35)30-26(24)34/h2-3,6-7,12-14,29,33H,4-5,8-11H2,1H3,(H,30,34,35)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.50 | Baltruschat ChEMBL | -1 » -2 |