Chemical Components in the PDB

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BZF : Summary

Code

BZF

One-letter code

X

Molecule name

BENZOFURAN

Systematic names

ProgramVersionName
ACDLabs 10.04 1-benzofuran
OpenEye OEToolkits 1.5.0 1-benzofuran

Formula

C8 H6 O

Formal charge

0

Molecular weight

118.133 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 o2c1ccccc1cc2
SMILES CACTVS 3.341 o1ccc2ccccc12
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)cco2
Canonical SMILES CACTVS 3.341 o1ccc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)cco2

IUPAC InChI

InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

IUPAC InChI key

IANQTJSKSUMEQM-UHFFFAOYSA-N
BZF

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned