Molecule ID: mol2303
SMILES: CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChI: InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | OCHEM | 0 » -1 |
| 4.69 | Hunt | 0 » -1 |
| 4.78 | AttenGpKa training set | 0 » -1 |
| 4.80 | Baltruschat ChEMBL | 0 » -1 |
| 4.92 | OCHEM | 0 » -1 |
| 5.00 | Baltruschat ChEMBL | 0 » -1 |