Molecule ID: mol36597

SMILES: COC(=O)CCc1cn2c(n1)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2CO

InChI: InChI=1S/C12H18N2O6/c1-20-8(16)3-2-6-4-14-7(5-15)9(17)10(18)11(19)12(14)13-6/h4,7,9-11,15,17-19H,2-3,5H2,1H3/t7-,9-,10+,11+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.52 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization