Molecule ID: mol19707

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1cc(I)c(O)c([N+](=O)[O-])c1

InChI: InChI=1S/C17H17IN4O3/c1-4-14-20-15-9(2)5-10(3)19-17(15)21(14)8-11-6-12(18)16(23)13(7-11)22(24)25/h5-7,23H,4,8H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization