Molecule ID: mol27210

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

InChI: InChI=1S/C9H11NO2/c1-7-3-2-4-8(5-7)9(12)10-6-11/h2-5,11H,6H2,1H3,(H,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization