Molecule ID: mol16787
SMILES: Cc1ccc(-c2nn(CCCCCCCCCCCCn3nc(-c4ccc(C)cc4)sc3=N)c(=N)s2)cc1
InChI: InChI=1S/C30H40N6S2/c1-23-13-17-25(18-14-23)27-33-35(29(31)37-27)21-11-9-7-5-3-4-6-8-10-12-22-36-30(32)38-28(34-36)26-19-15-24(2)16-20-26/h13-20,31-32H,3-12,21-22H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | Baltruschat ChEMBL | 1 » 0 |