Chemical Components in the PDB

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0QE : Summary

Code

0QE

One-letter code

X

Molecule name

chloromethane

Synonyms

Chloro Methyl group

Systematic names

ProgramVersionName
ACDLabs 12.01 chloromethane
OpenEye OEToolkits 1.7.0 chloromethane

Formula

C H3 Cl

Formal charge

0

Molecular weight

50.488 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 ClC
SMILES CACTVS 3.370 CCl
SMILES OpenEye OEToolkits 1.7.0 CCl
Canonical SMILES CACTVS 3.370 CCl
Canonical SMILES OpenEye OEToolkits 1.7.0 CCl

IUPAC InChI

InChI=1S/CH3Cl/c1-2/h1H3

IUPAC InChI key

NEHMKBQYUWJMIP-UHFFFAOYSA-N

Is part of

K7J
0QE

wwPDB Information

Atom count

5 (2 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-12-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned