Molecule ID: mol11082

SMILES: NC1=NC2=C(CCCC2)C(C(=O)O)N1

InChI: InChI=1S/C9H13N3O2/c10-9-11-6-4-2-1-3-5(6)7(12-9)8(13)14/h7H,1-4H2,(H,13,14)(H3,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.71 IUPAC digitized pKa 1 » 0
12.22 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization