Molecule ID: mol36327

SMILES: O=C(O)[C@@H]1Cc2[nH]cnc2CN1

InChI: InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)/t5-/m0/s1

Experimental Macro pKa Values

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