Molecule ID: mol24568

SMILES: C1=C(c2ccco2)C2CCC1N2

InChI: InChI=1S/C10H11NO/c1-2-10(12-5-1)8-6-7-3-4-9(8)11-7/h1-2,5-7,9,11H,3-4H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization