Molecule ID: mol22737

SMILES: C=COc1cc(N)ccc1C(=O)O

InChI: InChI=1S/C9H9NO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h2-5H,1,10H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization