Molecule ID: mol1968
SMILES: CCC(CC)NC(=O)c1nnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)cc1
InChI: InChI=1S/C21H25N5O3S/c1-4-16(5-2)22-21(27)19-20(26(25-23-19)17-9-7-6-8-10-17)24-30(28,29)18-13-11-15(3)12-14-18/h6-14,16,24H,4-5H2,1-3H3,(H,22,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | Hunt | 0 » -1 |