Molecule ID: 4269236

IUPAC Name: 2,3,4,5,6-pentachlorophenolate

Description: The molecule is a phenolate anion that is the conjugate base of pentachlorophenol; major species at pH 7.3. It has a role as a human xenobiotic metabolite. It is a conjugate base of a pentachlorophenol.

SMILES: [O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

SELFIES: [O-1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl]

InChI: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/p-1

Molecular Properties:
- Polar Surface Area: 23.1 Ų
- LogP: 5.4