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4FC : Summary
Code ![](/pdbe/static/images/help.png)
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4FC
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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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4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID
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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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C13 H9 F 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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216.208 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 |
Fc2ccc(c1ccc(C(=O)O)cc1)cc2 |
SMILES
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CACTVS |
3.341 |
OC(=O)c1ccc(cc1)c2ccc(F)cc2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1c2ccc(cc2)F)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)c1ccc(cc1)c2ccc(F)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1c2ccc(cc2)F)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H9FO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LXWNTLBMNCXRQN-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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2005-03-04
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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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