Molecule ID: mol6638

SMILES: Cn1ccnc1N

InChI: InChI=1S/C4H7N3/c1-7-3-2-6-4(7)5/h2-3H,1H3,(H2,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.54 Organic Oxygen Acids and Nitrogen Bases 1 » 0
8.54 OCHEM 1 » 0
8.54 Baltruschat ChEMBL 1 » 0
8.54 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization