Molecule ID: mol38608

SMILES: Nc1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)n1

InChI: InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)

Experimental Macro pKa Values

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