Molecule ID: mol36066

SMILES: CCc1cc(C(c2ccccn2)c2cc(CC)c(O)cc2O)c(O)cc1O

InChI: InChI=1S/C22H23NO4/c1-3-13-9-15(20(26)11-18(13)24)22(17-7-5-6-8-23-17)16-10-14(4-2)19(25)12-21(16)27/h5-12,22,24-27H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.50 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization