Chemical Components in the PDB

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BNL : Summary

Code

BNL

One-letter code

X

Molecule name

BIPHENYL

Systematic names

ProgramVersionName
ACDLabs 11.02 biphenyl
OpenEye OEToolkits 1.6.1 1,1'-biphenyl

Formula

C12 H10

Formal charge

0

Molecular weight

154.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 c1cc(ccc1)c2ccccc2
SMILES CACTVS 3.352 c1ccc(cc1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)c2ccccc2
Canonical SMILES CACTVS 3.352 c1ccc(cc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc(cc1)c2ccccc2

IUPAC InChI

InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

IUPAC InChI key

ZUOUZKKEUPVFJK-UHFFFAOYSA-N
BNL

wwPDB Information

Atom count

22 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-09-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned