Molecule ID: mol1578

SMILES: C=C(C)CC(=O)O[C@@H](C)N1CCCCC1

InChI: InChI=1S/C12H21NO2/c1-10(2)9-12(14)15-11(3)13-7-5-4-6-8-13/h11H,1,4-9H2,2-3H3/t11-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.37 OCHEM 1 » 0
8.37 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization