Molecule ID: mol413
SMILES: CCOC(=O)c1csc(NC(=O)CN2CCCCC2)n1
InChI: InChI=1S/C13H19N3O3S/c1-2-19-12(18)10-9-20-13(14-10)15-11(17)8-16-6-4-3-5-7-16/h9H,2-8H2,1H3,(H,14,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | OCHEM | 1 » 0 |
| 6.70 | Settimo | 1 » 0 |
| 9.90 | OCHEM | 0 » -1 |
| 9.90 | Settimo | 0 » -1 |