Molecule ID: mol18476
SMILES: CCCCc1nc(Cl)c(Cc2nnn[nH]2)n1Cc1ccc(-c2nnn[nH]2)cc1
InChI: InChI=1S/C17H19ClN10/c1-2-3-4-15-19-16(18)13(9-14-20-24-25-21-14)28(15)10-11-5-7-12(8-6-11)17-22-26-27-23-17/h5-8H,2-4,9-10H2,1H3,(H,20,21,24,25)(H,22,23,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | Baltruschat ChEMBL | 0 » -1 |