Molecule ID: mol12654

SMILES: COCc1cccc(COC)n1

InChI: InChI=1S/C9H13NO2/c1-11-6-8-4-3-5-9(10-8)7-12-2/h3-5H,6-7H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.36 QSARToolbox 1 » 0
3.43 Datawarrior 1 » 0
3.43 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization