Molecule ID: mol17113

SMILES: Cc1cccc(Cl)c1N(CC1CC1)C1=NCCN1

InChI: InChI=1S/C14H18ClN3/c1-10-3-2-4-12(15)13(10)18(9-11-5-6-11)14-16-7-8-17-14/h2-4,11H,5-9H2,1H3,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization