Molecule ID: mol18462

SMILES: CN(C)c1ccnc(N2CCc3ccccc3C2)c1

InChI: InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.80 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization