Molecule ID: mol18796
SMILES: NC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)C2=NCCCN12
InChI: InChI=1S/C21H19N7/c22-20-27-21(17-5-8-23-9-6-17,19-26-7-2-10-28(19)20)18-4-1-3-15(11-18)16-12-24-14-25-13-16/h1,3-6,8-9,11-14H,2,7,10H2,(H2,22,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | Baltruschat ChEMBL | 1 » 0 |