Molecule ID: mol36604

SMILES: COC(=O)N=c1c[n+](C(C)C)[n-]o1

InChI: InChI=1S/C7H11N3O3/c1-5(2)10-4-6(13-9-10)8-7(11)12-3/h4-5H,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.68 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization