Molecule ID: mol1661

SMILES: Nc1ccc(C2CCCC2)cc1

InChI: InChI=1S/C11H15N/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9H,1-4,12H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization