Molecule ID: mol27055

SMILES: CC(C)(C)/N=C1/C=C(C2=C(O)CCCC2=O)CCC1

InChI: InChI=1S/C16H23NO2/c1-16(2,3)17-12-7-4-6-11(10-12)15-13(18)8-5-9-14(15)19/h10,18H,4-9H2,1-3H3/b17-12+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization