Molecule ID: mol24027

SMILES: COc1cc(N)ccc1-c1ccc(N)cc1OC

InChI: InChI=1S/C14H16N2O2/c1-17-13-7-9(15)3-5-11(13)12-6-4-10(16)8-14(12)18-2/h3-8H,15-16H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization