Molecule ID: mol687

SMILES: COc1cc(CCN)cc(OC)c1OC

InChI: InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.56 Organic Oxygen Acids and Nitrogen Bases 1 » 0
9.56 OCHEM 1 » 0
9.56 Hunt 1 » 0
9.56 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization