Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

YE6 : Summary

Code

YE6

One-letter code

X

Molecule name

5-(2-chlorophenyl)furan-2-carbohydrazide

Systematic names

ProgramVersionName
ACDLabs 10.04 5-(2-chlorophenyl)furan-2-carbohydrazide
OpenEye OEToolkits 1.5.0 5-(2-chlorophenyl)furan-2-carbohydrazide

Formula

C11 H9 Cl N2 O2

Formal charge

0

Molecular weight

236.654 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(c2oc(c1c(Cl)cccc1)cc2)NN
SMILES CACTVS 3.341 NNC(=O)c1oc(cc1)c2ccccc2Cl
SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl
Canonical SMILES CACTVS 3.341 NNC(=O)c1oc(cc1)c2ccccc2Cl
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl

IUPAC InChI

InChI=1S/C11H9ClN2O2/c12-8-4-2-1-3-7(8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)

IUPAC InChI key

XQMRHWSGTVEDFG-UHFFFAOYSA-N
YE6

wwPDB Information

Atom count

25 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-03-29

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned