Molecule ID: mol16790
SMILES: N=c1sc(-c2ccccc2)nn1CCCCCCCCCCCCn1nc(-c2ccccc2)sc1=N
InChI: InChI=1S/C28H36N6S2/c29-27-33(31-25(35-27)23-17-11-9-12-18-23)21-15-7-5-3-1-2-4-6-8-16-22-34-28(30)36-26(32-34)24-19-13-10-14-20-24/h9-14,17-20,29-30H,1-8,15-16,21-22H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Baltruschat ChEMBL | 1 » 0 |