Molecule ID: euroSAMPL-24

SMILES: Cc1cc(N2CCOCC2)c2ccccc2n1

InChI: InChI=1S/C14H16N2O/c1-11-10-14(16-6-8-17-9-7-16)12-4-2-3-5-13(12)15-11/h2-5,10H,6-9H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.63 euroSAMPL1 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization