Chemical Components in the PDB

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CLW : Summary

Code

CLW

One-letter code

X

Molecule name

CHLORZOXAZONE

Synonyms

5-CHLORO-2-BENZOXAZOLONE

Systematic names

ProgramVersionName
ACDLabs 10.04 5-chloro-1,3-benzoxazol-2(3H)-one
OpenEye OEToolkits 1.5.0 5-chloro-3H-1,3-benzoxazol-2-one

Formula

C7 H4 Cl N O2

Formal charge

0

Molecular weight

169.565 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc2cc1c(OC(=O)N1)cc2
SMILES CACTVS 3.341 Clc1ccc2OC(=O)Nc2c1
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1Cl)NC(=O)O2
Canonical SMILES CACTVS 3.341 Clc1ccc2OC(=O)Nc2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1Cl)NC(=O)O2

IUPAC InChI

InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

IUPAC InChI key

TZFWDZFKRBELIQ-UHFFFAOYSA-N
CLW

wwPDB Information

Atom count

15 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-07-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned