Molecule ID: mol28995

SMILES: COc1ccc(CNP(C)(=O)S)cc1

InChI: InChI=1S/C9H14NO2PS/c1-12-9-5-3-8(4-6-9)7-10-13(2,11)14/h3-6H,7H2,1-2H3,(H2,10,11,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization