Molecule ID: mol15414
SMILES: CSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N
InChI: InChI=1S/C13H20N4O2S2/c1-9(12(4-5-18)21-20-3)17(8-19)7-11-6-15-10(2)16-13(11)14/h6,8,18H,4-5,7H2,1-3H3,(H2,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.59 | Datawarrior | 1 » 0 |
| 5.59 | OCHEM | 1 » 0 |