Molecule ID: mol7592
SMILES: CCN(CC)c1nnc(-c2ccccc2)s1
InChI: InChI=1S/C12H15N3S/c1-3-15(4-2)12-14-13-11(16-12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.09 | OCHEM | 1 » 0 |
| 3.09 | Datawarrior | 1 » 0 |
| 3.10 | IUPAC digitized pKa | 1 » 0 |