Molecule ID: mol14365
SMILES: Oc1c(C(Nc2nc3ccccc3s2)c2ccccn2)ccc2cccnc12
InChI: InChI=1S/C22H16N4OS/c27-21-15(11-10-14-6-5-13-24-19(14)21)20(17-8-3-4-12-23-17)26-22-25-16-7-1-2-9-18(16)28-22/h1-13,20,27H,(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.94 | Datawarrior | -1 » -2 |
| 10.94 | OCHEM | -1 » -2 |