Molecule ID: mol28963

SMILES: Cc1cc(C)c(P(=O)(O)O)c(C)c1

InChI: InChI=1S/C9H13O3P/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.53 AttenGpKa training set 0 » -1
8.82 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization