Molecule ID: mol25101

SMILES: CC[N+](C)(CC)Cc1cccnc1

InChI: InChI=1S/C11H19N2/c1-4-13(3,5-2)10-11-7-6-8-12-9-11/h6-9H,4-5,10H2,1-3H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.12 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization