Molecule ID: mol20543

SMILES: C=CCOc1cc(N)ccc1C(=O)O

InChI: InChI=1S/C10H11NO3/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h2-4,6H,1,5,11H2,(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.01 OCHEM 0 » -1
5.01 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization