Molecule ID: mol28949

SMILES: O=P(O)(O)Cc1ccccc1O

InChI: InChI=1S/C7H9O4P/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4,8H,5H2,(H2,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.13 AttenGpKa training set 0 » -1
6.45 AttenGpKa training set -1 » -2
11.17 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization