Molecule ID: mol15218
SMILES: CCOC(=O)Nc1nnc(-c2ccccc2)s1
InChI: InChI=1S/C11H11N3O2S/c1-2-16-11(15)12-10-14-13-9(17-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | OCHEM | 0 » -1 |
| 8.20 | Datawarrior | 0 » -1 |