Molecule ID: mol26529

SMILES: COc1ccc2c(C[C@H](N)C(=O)O)c[nH]c2c1

InChI: InChI=1S/C12H14N2O3/c1-17-8-2-3-9-7(4-10(13)12(15)16)6-14-11(9)5-8/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization