Molecule ID: mol3886

SMILES: COc1ccc(C2CCCN2C)cc1

InChI: InChI=1S/C12H17NO/c1-13-9-3-4-12(13)10-5-7-11(14-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization