Molecule ID: mol3215

SMILES: CC(C)(C)CCC(N)=O

InChI: InChI=1S/C7H15NO/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H2,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.44 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization