Molecule ID: mol3656

SMILES: CN(C)CCN(c1ccccn1)c1ccc(Cl)s1

InChI: InChI=1S/C13H16ClN3S/c1-16(2)9-10-17(12-5-3-4-8-15-12)13-7-6-11(14)18-13/h3-8H,9-10H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.42 IUPAC digitized pKa 1 » 0
8.70 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization