Molecule ID: mol30257

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

InChI: InChI=1S/C6H12FNO3/c7-5-4(10)1-8-3(2-9)6(5)11/h3-6,8-11H,1-2H2/t3-,4+,5-,6-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization