Molecule ID: mol15024
SMILES: CNc1nccn2cc(-c3ccc([S+](C)[O-])cc3OC)nc12
InChI: InChI=1S/C15H16N4O2S/c1-16-14-15-18-12(9-19(15)7-6-17-14)11-5-4-10(22(3)20)8-13(11)21-2/h4-9H,1-3H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.36 | Datawarrior | 1 » 0 |
| 5.36 | OCHEM | 1 » 0 |
| 5.36 | QSARToolbox | 1 » 0 |