Chemical Components in the PDB

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TCZ : Summary

Code

TCZ

One-letter code

X

Molecule name

1,3,5-TRICHLORO-BENZENE

Systematic names

ProgramVersionName
ACDLabs 10.04 1,3,5-trichlorobenzene
OpenEye OEToolkits 1.5.0 1,3,5-trichlorobenzene

Formula

C6 H3 Cl3

Formal charge

0

Molecular weight

181.447 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc1cc(Cl)cc(Cl)c1
SMILES CACTVS 3.341 Clc1cc(Cl)cc(Cl)c1
SMILES OpenEye OEToolkits 1.5.0 c1c(cc(cc1Cl)Cl)Cl
Canonical SMILES CACTVS 3.341 Clc1cc(Cl)cc(Cl)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(cc(cc1Cl)Cl)Cl

IUPAC InChI

InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H

IUPAC InChI key

XKEFYDZQGKAQCN-UHFFFAOYSA-N
TCZ

wwPDB Information

Atom count

12 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-01-09

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned