Molecule ID: mol7418

SMILES: CNc1nc(C)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1

InChI: InChI=1S/C13H14N4O2/c1-8-12(9(2)16-13(14-3)15-8)10-4-6-11(7-5-10)17(18)19/h4-7H,1-3H3,(H,14,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.41 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization