Molecule ID: mol17254

SMILES: Cn1cc[n+](COCC(C)(C)C)c1/C=N/O

InChI: InChI=1S/C11H19N3O2/c1-11(2,3)8-16-9-14-6-5-13(4)10(14)7-12-15/h5-7H,8-9H2,1-4H3/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.04 OCHEM 1 » 0
8.04 Baltruschat ChEMBL 1 » 0
8.04 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization