Molecule ID: mol19719
SMILES: COc1c(OCC(O)CN2CCNCC2)cc2oc3cc(OCC(O)CN4CCNCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
InChI: InChI=1S/C38H54N4O8/c1-24(2)6-8-28-30(48-22-26(43)20-41-14-10-39-11-15-41)18-32-35(36(28)45)37(46)34-29(9-7-25(3)4)38(47-5)33(19-31(34)50-32)49-23-27(44)21-42-16-12-40-13-17-42/h6-7,18-19,26-27,39-40,43-45H,8-17,20-23H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.55 | Baltruschat ChEMBL | 0 » -1 |