Molecule ID: mol24289

SMILES: COc1cc(C(N)CO)ccc1O

InChI: InChI=1S/C9H13NO3/c1-13-9-4-6(7(10)5-11)2-3-8(9)12/h2-4,7,11-12H,5,10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization