Molecule ID: mol23974

SMILES: CCOP(=O)(OCC)c1cccc(N)c1

InChI: InChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)10-7-5-6-9(11)8-10/h5-8H,3-4,11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization