Molecule ID: mol30984

SMILES: CCc1cc2c(cc1O)Oc1cc(O)c(CC)cc1C21OC(=O)c2ccccc21

InChI: InChI=1S/C24H20O5/c1-3-13-9-17-21(11-19(13)25)28-22-12-20(26)14(4-2)10-18(22)24(17)16-8-6-5-7-15(16)23(27)29-24/h5-12,25-26H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.61 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization