Molecule ID: mol18627
SMILES: COc1c(OCCCCn2cncn2)cc2oc3cc(OCCCCn4cncn4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
InChI: InChI=1S/C36H44N6O6/c1-24(2)10-12-26-28(46-16-8-6-14-41-22-37-20-39-41)18-30-33(34(26)43)35(44)32-27(13-11-25(3)4)36(45-5)31(19-29(32)48-30)47-17-9-7-15-42-23-38-21-40-42/h10-11,18-23,43H,6-9,12-17H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | OCHEM | 2 » 1 |
| 2.20 | Baltruschat ChEMBL | 2 » 1 |