Molecule ID: mol31109

SMILES: O=C1NCC(O)=C1O

InChI: InChI=1S/C4H5NO3/c6-2-1-5-4(8)3(2)7/h6-7H,1H2,(H,5,8)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.20 AttenGpKa training set 0 » -1
11.90 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization