Molecule ID: mol25502

SMILES: Cc1c(O)n(-c2ccccc2)[n+](C)c1C

InChI: InChI=1S/C12H14N2O/c1-9-10(2)13(3)14(12(9)15)11-7-5-4-6-8-11/h4-8H,1-3H3/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.24 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization