Molecule ID: mol7834

SMILES: COc1cc(C)c2c(n1)OCCC2

InChI: InChI=1S/C10H13NO2/c1-7-6-9(12-2)11-10-8(7)4-3-5-13-10/h6H,3-5H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization