Molecule ID: mol24446

SMILES: CN(C)CCNC(Cc1ccc(Cl)s1)c1ccccn1

InChI: InChI=1S/C15H20ClN3S/c1-19(2)10-9-18-14(13-5-3-4-8-17-13)11-12-6-7-15(16)20-12/h3-8,14,18H,9-11H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.40 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization