Molecule ID: mol637
SMILES: Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1
InChI: InChI=1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | AttenGpKa training set | 1 » 0 |
| 5.70 | AttenGpKa training set | 0 » -1 |
| 5.80 | OCHEM | 0 » -1 |
| 5.80 | Hunt | 0 » -1 |
| 6.18 | OCHEM | 0 » -1 |