Molecule ID: mol14857

SMILES: CC(C)(C)c1cc(/C=C/Cl)cc(C(C)(C)C)c1O

InChI: InChI=1S/C16H23ClO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h7-10,18H,1-6H3/b8-7+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.82 QSARToolbox 0 » -1
11.82 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization