Molecule ID: mol15425
SMILES: COc1cc([S+](C)[O-])ccc1-c1nc2ncc(N)cc2[nH]1
InChI: InChI=1S/C14H14N4O2S/c1-20-12-6-9(21(2)19)3-4-10(12)13-17-11-5-8(15)7-16-14(11)18-13/h3-7H,15H2,1-2H3,(H,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.90 | Datawarrior | 1 » 0 |
| 3.90 | QSARToolbox | 1 » 0 |
| 3.90 | OCHEM | 1 » 0 |