Molecule ID: mol16794
SMILES: N=c1n(CCCCCCCCCCCCn2c(=N)n(Cc3ccccc3)c3ccccc32)c2ccccc2n1Cc1ccccc1
InChI: InChI=1S/C40H48N6/c41-39-43(35-25-15-17-27-37(35)45(39)31-33-21-11-9-12-22-33)29-19-7-5-3-1-2-4-6-8-20-30-44-36-26-16-18-28-38(36)46(40(44)42)32-34-23-13-10-14-24-34/h9-18,21-28,41-42H,1-8,19-20,29-32H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | Baltruschat ChEMBL | 1 » 0 |