Molecule ID: mol25522

SMILES: CC(C)(C)c1n[nH]c(C(C)(C)C)c1N=O

InChI: InChI=1S/C11H19N3O/c1-10(2,3)8-7(14-15)9(13-12-8)11(4,5)6/h1-6H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization