Molecule ID: mol18631

SMILES: COc1c(OCCCCN2CCCC2)cc2oc3cc(OCCCCN4CCCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C

InChI: InChI=1S/C40H56N2O6/c1-28(2)14-16-30-32(46-24-12-10-22-41-18-6-7-19-41)26-34-37(38(30)43)39(44)36-31(17-15-29(3)4)40(45-5)35(27-33(36)48-34)47-25-13-11-23-42-20-8-9-21-42/h14-15,26-27,43H,6-13,16-25H2,1-5H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.27 OCHEM 0 » -1
11.27 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization