Molecule ID: mol24277

SMILES: NCCc1ccc2ccccc2c1

InChI: InChI=1S/C12H13N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7-8,13H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization