Chemical Components in the PDB

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50Q : Summary

Code

50Q

One-letter code

X

Molecule name

5-(3,4-dichloro-phenoxy)-benzene-1,3-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 5-[3,4-bis(chloranyl)phenoxy]benzene-1,3-diol

Formula

C12 H8 Cl2 O3

Formal charge

0

Molecular weight

271.096 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1
SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl
Canonical SMILES CACTVS 3.370 Oc1cc(O)cc(Oc2ccc(Cl)c(Cl)c2)c1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl
50Q

wwPDB Information

Atom count

25 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-30

Last modified at

2013-10-18

Status

Released

Obsoleted

Not Assigned