Molecule ID: mol7387

SMILES: CCCc1nc(O)cc(O)n1

InChI: InChI=1S/C7H10N2O2/c1-2-3-5-8-6(10)4-7(11)9-5/h4H,2-3H2,1H3,(H2,8,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization