Molecule ID: mol35467

SMILES: Cc1cc(S(=O)(=O)N(CCO)CCO)cc(Cc2cc(S(=O)(=O)N(CCO)CCO)cc(Cc3cc(S(=O)(=O)N(CCO)CCO)cc(C)c3O)c2O)c1O

InChI: InChI=1S/C34H49N3O15S3/c1-23-15-29(53(47,48)35(3-9-38)4-10-39)19-25(32(23)44)17-27-21-31(55(51,52)37(7-13-42)8-14-43)22-28(34(27)46)18-26-20-30(16-24(2)33(26)45)54(49,50)36(5-11-40)6-12-41/h15-16,19-22,38-46H,3-14,17-18H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.71 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization