Molecule ID: mol26829

SMILES: CC/N=C1/C=C(OC)CCC1

InChI: InChI=1S/C9H15NO/c1-3-10-8-5-4-6-9(7-8)11-2/h7H,3-6H2,1-2H3/b10-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization