Molecule ID: mol7849

SMILES: CC1=Nc2ccc(C)cc2C(O)(C(N)=O)N1

InChI: InChI=1S/C11H13N3O2/c1-6-3-4-9-8(5-6)11(16,10(12)15)14-7(2)13-9/h3-5,16H,1-2H3,(H2,12,15)(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization