Chemical Components in the PDB

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DC5 : Summary

Code

DC5

One-letter code

X

Molecule name

2,6-DICHLOROBIPHENYL

Systematic names

ProgramVersionName
ACDLabs 10.04 2,6-dichlorobiphenyl
OpenEye OEToolkits 1.6.1 1,3-dichloro-2-phenyl-benzene

Formula

C12 H8 Cl2

Formal charge

0

Molecular weight

223.098 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc2cccc(Cl)c2c1ccccc1
SMILES CACTVS 3.352 Clc1cccc(Cl)c1c2ccccc2
SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)c2c(cccc2Cl)Cl
Canonical SMILES CACTVS 3.352 Clc1cccc(Cl)c1c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.6.1 c1ccc(cc1)c2c(cccc2Cl)Cl

IUPAC InChI

InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H

IUPAC InChI key

IYZWUWBAFUBNCH-UHFFFAOYSA-N
DC5

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-09-29

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned