Molecule ID: mol29523

SMILES: N[C@@H]1C[C@H](N)[C@@H](O)[C@@H](F)[C@H]1O

InChI: InChI=1S/C6H13FN2O2/c7-4-5(10)2(8)1-3(9)6(4)11/h2-6,10-11H,1,8-9H2/t2-,3+,4+,5+,6-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization