Molecule ID: mol36927

SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(CNc3ccccc3)cn21

InChI: InChI=1S/C15H19N3O4/c19-8-11-12(20)13(21)14(22)15-17-10(7-18(11)15)6-16-9-4-2-1-3-5-9/h1-5,7,11-14,16,19-22H,6,8H2/t11-,12-,13+,14+/m1/s1

Experimental Macro pKa Values

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