Molecule ID: mol2300
SMILES: Cc1ccc(S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2)cc1
InChI: InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.98 | OCHEM | 0 » -1 |
| 5.98 | Hunt | 0 » -1 |