Molecule ID: mol15569
SMILES: CC(=C(S)CCO)N(C=O)Cc1cnc(C)nc1N
InChI: InChI=1S/C12H18N4O2S/c1-8(11(19)3-4-17)16(7-18)6-10-5-14-9(2)15-12(10)13/h5,7,17,19H,3-4,6H2,1-2H3,(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.19 | Datawarrior | 1 » 0 |
| 4.19 | OCHEM | 1 » 0 |
| 11.40 | Datawarrior | 0 » -1 |
| 11.40 | OCHEM | 0 » -1 |