Molecule ID: mol28962

SMILES: CC(C)c1ccccc1P(=O)(O)O

InChI: InChI=1S/C9H13O3P/c1-7(2)8-5-3-4-6-9(8)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization