Chemical Components in the PDB

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HX3 : Summary

Code

HX3

One-letter code

X

Molecule name

(3,4-dichlorophenyl)hydrazine

Systematic names

ProgramVersionName
ACDLabs 12.01 (3,4-dichlorophenyl)hydrazine
OpenEye OEToolkits 2.0.6 (3,4-dichlorophenyl)diazane

Formula

C6 H6 Cl2 N2

Formal charge

0

Molecular weight

177.031 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(Cl)c(Cl)ccc(c1)NN
SMILES CACTVS 3.385 NNc1ccc(Cl)c(Cl)c1
SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1NN)Cl)Cl
Canonical SMILES CACTVS 3.385 NNc1ccc(Cl)c(Cl)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1NN)Cl)Cl

IUPAC InChI

InChI=1S/C6H6Cl2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2

IUPAC InChI key

YMJSQPNVQRHZDW-UHFFFAOYSA-N
HX3

wwPDB Information

Atom count

16 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-06

Last modified at

2018-12-07

Status

Released

Obsoleted

Not Assigned