Molecule ID: mol29849

SMILES: CCc1nnc(NC(=O)C(C)c2ccc(CC(C)C)cc2)s1

InChI: InChI=1S/C17H23N3OS/c1-5-15-19-20-17(22-15)18-16(21)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization