Molecule ID: mol29045

SMILES: CCCCC(CC)CP(=O)(O)CC(CC)CCCC

InChI: InChI=1S/C16H35O2P/c1-5-9-11-15(7-3)13-19(17,18)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization