Molecule ID: mol17142

SMILES: Clc1cccc(Cl)c1N(CC1CC1)C1=NCCN1

InChI: InChI=1S/C13H15Cl2N3/c14-10-2-1-3-11(15)12(10)18(8-9-4-5-9)13-16-6-7-17-13/h1-3,9H,4-8H2,(H,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization