Molecule ID: mol13445

SMILES: CCC[n+]1cccc2c(O)cccc21

InChI: InChI=1S/C12H13NO/c1-2-8-13-9-4-5-10-11(13)6-3-7-12(10)14/h3-7,9H,2,8H2,1H3/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.06 OCHEM 1 » 0
6.06 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization