Molecule ID: mol16795
SMILES: Cn1c(=N)n(CCCCCCCCCCCCn2c(=N)n(C)c3ccccc32)c2ccccc21
InChI: InChI=1S/C28H40N6/c1-31-23-17-11-13-19-25(23)33(27(31)29)21-15-9-7-5-3-4-6-8-10-16-22-34-26-20-14-12-18-24(26)32(2)28(34)30/h11-14,17-20,29-30H,3-10,15-16,21-22H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.90 | Baltruschat ChEMBL | 1 » 0 |