Molecule ID: mol4251
SMILES: CCn1nc(-c2ccccc2)sc1=N
InChI: InChI=1S/C10H11N3S/c1-2-13-10(11)14-9(12-13)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | OCHEM | 1 » 0 |
| 6.10 | Datawarrior | 1 » 0 |
| 7.90 | IUPAC digitized pKa | 1 » 0 |