Molecule ID: mol3687

SMILES: CN(C)CCN(c1ccccn1)c1cccs1

InChI: InChI=1S/C13H17N3S/c1-15(2)9-10-16(13-7-5-11-17-13)12-6-3-4-8-14-12/h3-8,11H,9-10H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.66 IUPAC digitized pKa 2 » 1
8.85 IUPAC digitized pKa 1 » 0
8.91 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization