Molecule ID: mol1619

SMILES: COc1cc(O)ncn1

InChI: InChI=1S/C5H6N2O2/c1-9-5-2-4(8)6-3-7-5/h2-3H,1H3,(H,6,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.10 IUPAC digitized pKa 1 » 0
8.47 IUPAC digitized pKa 0 » -1
8.47 Hunt 0 » -1
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Charge States and Microspecies Visualization