Molecule ID: euroSAMPL-32

SMILES: CN1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1

InChI: InChI=1S/C15H17N3O2/c1-17-7-9-18(10-8-17)15(19)13-11-14(20-16-13)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization