Molecule ID: mol6627

SMILES: CC(=O)NCCc1c[nH]cn1

InChI: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.99 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization