Molecule ID: mol30273

SMILES: c1ccc(C2=NOC3CCCCC23)cc1

InChI: InChI=1S/C13H15NO/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)15-14-13/h1-3,6-7,11-12H,4-5,8-9H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.85 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization