Molecule ID: mol15316
SMILES: CC(=C(CCO)SSCCC(C)C)N(C=O)Cc1cnc(C)nc1N
InChI: InChI=1S/C17H28N4O2S2/c1-12(2)6-8-24-25-16(5-7-22)13(3)21(11-23)10-15-9-19-14(4)20-17(15)18/h9,11-12,22H,5-8,10H2,1-4H3,(H2,18,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | OCHEM | 1 » 0 |
| 5.58 | Datawarrior | 1 » 0 |