Molecule ID: mol11800

SMILES: C[N+](C)(C)c1ccc(O)c(/C=C\C(=O)O)c1

InChI: InChI=1S/C12H15NO3/c1-13(2,3)10-5-6-11(14)9(8-10)4-7-12(15)16/h4-8H,1-3H3,(H-,14,15,16)/p+1/b7-4-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization