Molecule ID: mol36913

SMILES: O=S(=O)(c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)N(CCO)CCO)cc(c1O)Cc1cc(S(=O)(=O)N(CCO)CCO)cc(c1O)Cc1cc(S(=O)(=O)N(CCO)CCO)cc(c1O)C2)N(CCO)CCO

InChI: InChI=1S/C44H60N4O20S4/c49-9-1-45(2-10-50)69(61,62)37-21-29-17-31-23-38(70(63,64)46(3-11-51)4-12-52)25-33(42(31)58)19-35-27-40(72(67,68)48(7-15-55)8-16-56)28-36(44(35)60)20-34-26-39(71(65,66)47(5-13-53)6-14-54)24-32(43(34)59)18-30(22-37)41(29)57/h21-28,49-60H,1-20H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization