Molecule ID: mol38223

SMILES: Nc1cccc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)nc12

InChI: InChI=1S/C11H14N4O3/c12-6-2-1-3-7-11(6)14-15(13-7)10-4-8(17)9(5-16)18-10/h1-3,8-10,16-17H,4-5,12H2/t8-,9+,10+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization