Molecule ID: mol7200

SMILES: CCC(C)n1cccnc1=O

InChI: InChI=1S/C8H12N2O/c1-3-7(2)10-6-4-5-9-8(10)11/h4-7H,3H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization