Molecule ID: mol26731

SMILES: CN(C)CSc1c2ccccc2nc2cc(N)ccc12

InChI: InChI=1S/C16H17N3S/c1-19(2)10-20-16-12-5-3-4-6-14(12)18-15-9-11(17)7-8-13(15)16/h3-9H,10,17H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.10 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization