Molecule ID: mol31438

SMILES: O=C(NO)[C@@H]1C2CCC(O2)[C@@H]1C(=O)O

InChI: InChI=1S/C8H11NO5/c10-7(9-13)5-3-1-2-4(14-3)6(5)8(11)12/h3-6,13H,1-2H2,(H,9,10)(H,11,12)/t3?,4?,5-,6+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization