Molecule ID: mol3688
SMILES: CN(C)CCN(c1ccsc1)c1ccccn1
InChI: InChI=1S/C13H17N3S/c1-15(2)8-9-16(12-6-10-17-11-12)13-5-3-4-7-14-13/h3-7,10-11H,8-9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | IUPAC digitized pKa | 2 » 1 |
| 8.93 | IUPAC digitized pKa | 1 » 0 |