Molecule ID: mol349
SMILES: Cc1nc(NC(=O)CCCC(=O)O)sc1C
InChI: InChI=1S/C10H14N2O3S/c1-6-7(2)16-10(11-6)12-8(13)4-3-5-9(14)15/h3-5H2,1-2H3,(H,14,15)(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | OCHEM | 1 » 0 |
| 2.50 | Settimo | 1 » 0 |