Molecule ID: mol16788
SMILES: N=c1sc(-c2cccc(Cl)c2)nn1CCCCCCCCCCCCn1nc(-c2cccc(Cl)c2)sc1=N
InChI: InChI=1S/C28H34Cl2N6S2/c29-23-15-11-13-21(19-23)25-33-35(27(31)37-25)17-9-7-5-3-1-2-4-6-8-10-18-36-28(32)38-26(34-36)22-14-12-16-24(30)20-22/h11-16,19-20,31-32H,1-10,17-18H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | Baltruschat ChEMBL | 1 » 0 |