Molecule ID: mol7217

SMILES: Cc1cc(C)n(OCC(=O)O)c(=O)n1

InChI: InChI=1S/C8H10N2O4/c1-5-3-6(2)10(8(13)9-5)14-4-7(11)12/h3H,4H2,1-2H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization