Molecule ID: mol30274

SMILES: CCCCC1CC(c2ccccc2)=NO1

InChI: InChI=1S/C13H17NO/c1-2-3-9-12-10-13(14-15-12)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.14 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization