Chemical Components in the PDB

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PIH : Summary

Code

PIH

One-letter code

X

Molecule name

iodobenzene

Systematic names

ProgramVersionName
ACDLabs 10.04 iodobenzene
OpenEye OEToolkits 1.5.0 iodobenzene

Formula

C6 H5 I

Formal charge

0

Molecular weight

204.008 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Ic1ccccc1
SMILES CACTVS 3.341 Ic1ccccc1
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)I
Canonical SMILES CACTVS 3.341 Ic1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)I

IUPAC InChI

InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H

IUPAC InChI key

SNHMUERNLJLMHN-UHFFFAOYSA-N
PIH

wwPDB Information

Atom count

12 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-07-13

Last modified at

2021-01-05

Status

Released

Obsoleted

Not Assigned