Molecule ID: mol537
SMILES: CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)C1CCCC1
InChI: InChI=1S/C20H28N4O3S/c1-3-15(4-2)22-20(25)18-14-21-24(16-10-6-5-7-11-16)19(18)23-28(26,27)17-12-8-9-13-17/h5-7,10-11,14-15,17,23H,3-4,8-9,12-13H2,1-2H3,(H,22,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | Hunt | 0 » -1 |