Molecule ID: mol18635

SMILES: CCN(CC)CCCOc1cc2oc3cc(OCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C

InChI: InChI=1S/C38H56N2O6/c1-10-39(11-2)20-14-22-44-30-24-32-35(36(41)28(30)18-16-26(5)6)37(42)34-29(19-17-27(7)8)38(43-9)33(25-31(34)46-32)45-23-15-21-40(12-3)13-4/h16-17,24-25,41H,10-15,18-23H2,1-9H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization