Molecule ID: mol26454

SMILES: COc1ccc2c(c1)nc(C)n2C

InChI: InChI=1S/C10H12N2O/c1-7-11-9-6-8(13-3)4-5-10(9)12(7)2/h4-6H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization