Molecule ID: mol35270

SMILES: NCCNc1nnc(-c2ccccc2)cc1C(N)=O

InChI: InChI=1S/C13H15N5O/c14-6-7-16-13-10(12(15)19)8-11(17-18-13)9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H2,15,19)(H,16,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.87 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization