Molecule ID: mol14716
SMILES: COc1cc([S+](C)[O-])ccc1-c1cn2cccnc2n1
InChI: InChI=1S/C14H13N3O2S/c1-19-13-8-10(20(2)18)4-5-11(13)12-9-17-7-3-6-15-14(17)16-12/h3-9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | Datawarrior | 1 » 0 |
| 3.70 | OCHEM | 1 » 0 |
| 3.70 | QSARToolbox | 1 » 0 |