Molecule ID: mol4250
SMILES: CCNc1nnc(-c2ccccc2)s1
InChI: InChI=1S/C10H11N3S/c1-2-11-10-13-12-9(14-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Datawarrior | 1 » 0 |
| 3.00 | OCHEM | 1 » 0 |
| 3.05 | IUPAC digitized pKa | 1 » 0 |