Molecule ID: mol19867
SMILES: OC(CNCCc1ccncc1)COc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1
InChI: InChI=1S/C23H24N4O2S/c28-19(14-25-12-9-17-7-10-24-11-8-17)16-29-20-5-3-18(4-6-20)23-26-15-21(27-23)22-2-1-13-30-22/h1-8,10-11,13,15,19,25,28H,9,12,14,16H2,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | Baltruschat ChEMBL | 3 » 2 |