Molecule ID: mol13404

SMILES: COc1ccc(C2CCCN2C)cn1

InChI: InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-5-6-11(14-2)12-8-9/h5-6,8,10H,3-4,7H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.34 Datawarrior 2 » 1
1.34 OCHEM 2 » 1
1.34 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization