Molecule ID: mol2343

SMILES: O=C(O)c1ccc(C2CCCC2)cc1

InChI: InChI=1S/C12H14O2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9H,1-4H2,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization