Molecule ID: mol29594

SMILES: OC(CNc1ccccn1)c1ccccc1

InChI: InChI=1S/C13H14N2O/c16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h1-9,12,16H,10H2,(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.85 AttenGpKa training set 1 » 0
6.49 OCHEM 1 » 0
6.49 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization