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YE6 : Summary
Code ![](/pdbe/static/images/help.png)
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YE6
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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5-(2-chlorophenyl)furan-2-carbohydrazide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C11 H9 Cl N2 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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236.654 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(c2oc(c1c(Cl)cccc1)cc2)NN |
SMILES
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CACTVS |
3.341 |
NNC(=O)c1oc(cc1)c2ccccc2Cl |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl |
Canonical SMILES
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CACTVS |
3.341 |
NNC(=O)c1oc(cc1)c2ccccc2Cl |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | 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 ![](/pdbe/static/images/help.png) | XQMRHWSGTVEDFG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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25 (16 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2007-03-29
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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