Molecule ID: mol29534

SMILES: O=C(O)CNCP(=O)(O)O

InChI: InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.78 AttenGpKa training set 1 » 0
2.29 AttenGpKa training set 0 » -1
5.96 AttenGpKa training set -1 » -2
10.98 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization