Molecule ID: mol19706

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1cc(I)c(O)c(I)c1

InChI: InChI=1S/C17H17I2N3O/c1-4-14-21-15-9(2)5-10(3)20-17(15)22(14)8-11-6-12(18)16(23)13(19)7-11/h5-7,23H,4,8H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization