Molecule ID: mol31235

SMILES: CC1(C)OC(O)(c2ccccc2)OC1(C)C

InChI: InChI=1S/C13H18O3/c1-11(2)12(3,4)16-13(14,15-11)10-8-6-5-7-9-10/h5-9,14H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization