Molecule ID: mol17647

SMILES: CN(C)CCCN1C=Nc2cccc3cccc1c23

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.10 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization