Molecule ID: mol29657

SMILES: O=c1c(O)c(CCCCCO)oc2ccccc12

InChI: InChI=1S/C14H16O4/c15-9-5-1-2-8-12-14(17)13(16)10-6-3-4-7-11(10)18-12/h3-4,6-7,15,17H,1-2,5,8-9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization