Chemical Components in the PDB

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4FC : Summary

Code

4FC

One-letter code

X

Molecule name

4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 4'-fluorobiphenyl-4-carboxylic acid
OpenEye OEToolkits 1.5.0 4-(4-fluorophenyl)benzoic acid

Formula

C13 H9 F O2

Formal charge

0

Molecular weight

216.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc2ccc(c1ccc(C(=O)O)cc1)cc2
SMILES CACTVS 3.341 OC(=O)c1ccc(cc1)c2ccc(F)cc2
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1c2ccc(cc2)F)C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)c1ccc(cc1)c2ccc(F)cc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1c2ccc(cc2)F)C(=O)O

IUPAC InChI

InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)

IUPAC InChI key

LXWNTLBMNCXRQN-UHFFFAOYSA-N
4FC

wwPDB Information

Atom count

25 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-03-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned