Molecule ID: mol18628
SMILES: COc1c(OCCCCn2cccn2)cc2oc3cc(OCCCCn4cccn4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
InChI: InChI=1S/C38H46N4O6/c1-26(2)12-14-28-30(46-22-8-6-18-41-20-10-16-39-41)24-32-35(36(28)43)37(44)34-29(15-13-27(3)4)38(45-5)33(25-31(34)48-32)47-23-9-7-19-42-21-11-17-40-42/h10-13,16-17,20-21,24-25,43H,6-9,14-15,18-19,22-23H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.25 | OCHEM | 2 » 1 |
| 2.25 | Baltruschat ChEMBL | 2 » 1 |