Molecule ID: mol36931

SMILES: O=C(O)c1cn2c(n1)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2CO

InChI: InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(15)8-10-3(9(16)17)1-11(4)8/h1,4-7,12-15H,2H2,(H,16,17)/t4-,5-,6+,7+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.70 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization