Molecule ID: mol13196

SMILES: O=C(O)[C@]12CNCC[C@H]1O2

InChI: InChI=1S/C6H9NO3/c8-5(9)6-3-7-2-1-4(6)10-6/h4,7H,1-3H2,(H,8,9)/t4-,6+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.63 Datawarrior 1 » 0
9.14 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization