Molecule ID: mol26427

SMILES: CCOc1nc2ccccc2[nH]1

InChI: InChI=1S/C9H10N2O/c1-2-12-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization