Molecule ID: mol16495

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(O)cc1

InChI: InChI=1S/C17H19N3O/c1-4-15-19-16-11(2)9-12(3)18-17(16)20(15)10-13-5-7-14(21)8-6-13/h5-9,21H,4,10H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.30 Baltruschat ChEMBL 0 » -1
10.90 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization