Molecule ID: mol2494

SMILES: CCCO[P@](C)(=O)SCCN(C)C

InChI: InChI=1S/C8H20NO2PS/c1-5-7-11-12(4,10)13-8-6-9(2)3/h5-8H2,1-4H3/t12-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.77 OCHEM 1 » 0
7.77 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization