Chemical Components in the PDB

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5CL : Summary

Code

5CL

One-letter code

X

Molecule name

1,2,3,4,5-PENTACHLOROBENZENE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,2,3,4,5-pentachlorobenzene
OpenEye OEToolkits 1.5.0 1,2,3,4,5-pentachlorobenzene

Formula

C6 H Cl5

Formal charge

0

Molecular weight

250.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1cc(Cl)c(Cl)c(Cl)c1Cl
SMILES CACTVS 3.341 Clc1cc(Cl)c(Cl)c(Cl)c1Cl
SMILES OpenEye OEToolkits 1.5.0 c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
Canonical SMILES CACTVS 3.341 Clc1cc(Cl)c(Cl)c(Cl)c1Cl
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl

IUPAC InChI

InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

IUPAC InChI key

CEOCDNVZRAIOQZ-UHFFFAOYSA-N
5CL

wwPDB Information

Atom count

12 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-04-26

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned