Molecule ID: mol595
SMILES: COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C
InChI: InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | OCHEM | 0 » -1 |
| 5.00 | Hunt | 0 » -1 |
| 5.00 | Baltruschat ChEMBL | 0 » -1 |