Molecule ID: mol16523

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(O)c(Cl)c1

InChI: InChI=1S/C17H18ClN3O/c1-4-15-20-16-10(2)7-11(3)19-17(16)21(15)9-12-5-6-14(22)13(18)8-12/h5-8,22H,4,9H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization