Molecule ID: mol38296

SMILES: CCP(CC)c1cccc(C(=O)O)c1

InChI: InChI=1S/C11H15O2P/c1-3-14(4-2)10-7-5-6-9(8-10)11(12)13/h5-8H,3-4H2,1-2H3,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.44 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization