Molecule ID: mol6109

SMILES: COc1cccc(OC)c1CC(N)CO

InChI: InChI=1S/C11H17NO3/c1-14-10-4-3-5-11(15-2)9(10)6-8(12)7-13/h3-5,8,13H,6-7,12H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.18 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization