Molecule ID: mol4066

SMILES: CCOC(=O)CNc1nc(Cl)ncc1N

InChI: InChI=1S/C8H11ClN4O2/c1-2-15-6(14)4-11-7-5(10)3-12-8(9)13-7/h3H,2,4,10H2,1H3,(H,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization