Molecule ID: mol15441
SMILES: COc1ccc(-c2nc3nnc(SC)nc3[nH]2)c(OC)c1
InChI: InChI=1S/C13H13N5O2S/c1-19-7-4-5-8(9(6-7)20-2)10-14-11-12(15-10)17-18-13(16-11)21-3/h4-6H,1-3H3,(H,14,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.69 | Datawarrior | 0 » -1 |
| 7.69 | QSARToolbox | 0 » -1 |
| 7.69 | OCHEM | 0 » -1 |