Molecule ID: mol21301

SMILES: CC1NC(N)=Nc2ccccc21

InChI: InChI=1S/C9H11N3/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-6H,1H3,(H3,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.50 OCHEM 1 » 0
10.50 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization