Chemical Components in the PDB

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MCH : Summary

Code

MCH

One-letter code

X

Molecule name

trichloromethane

Synonyms

Chloroform CHCl3

Systematic names

ProgramVersionName
ACDLabs 10.04 trichloromethane
OpenEye OEToolkits 1.5.0 trichloromethane

Formula

C H Cl3

Formal charge

0

Molecular weight

119.378 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 ClC(Cl)Cl
SMILES CACTVS 3.341 ClC(Cl)Cl
SMILES OpenEye OEToolkits 1.5.0 C(Cl)(Cl)Cl
Canonical SMILES CACTVS 3.341 ClC(Cl)Cl
Canonical SMILES OpenEye OEToolkits 1.5.0 C(Cl)(Cl)Cl

IUPAC InChI

InChI=1S/CHCl3/c2-1(3)4/h1H

IUPAC InChI key

HEDRZPFGACZZDS-UHFFFAOYSA-N
MCH

wwPDB Information

Atom count

5 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-02-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned