Molecule ID: mol29344

SMILES: NC(Cc1cccc(O)c1)C(=O)O

InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.33 AttenGpKa training set 1 » 0
8.94 AttenGpKa training set 0 » -1
10.21 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization