Molecule ID: mol24669

SMILES: c1ccc(COC2=NOC3(C2)CN2CCC3CC2)cc1

InChI: InChI=1S/C16H20N2O2/c1-2-4-13(5-3-1)11-19-15-10-16(20-17-15)12-18-8-6-14(16)7-9-18/h1-5,14H,6-12H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization