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F13 : Summary
Code ![](/pdbe/static/images/help.png)
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F13
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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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3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
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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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C14 H10 F N5 O
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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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283.261 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 |
Fc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3 |
SMILES
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CACTVS |
3.341 |
Fc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3 |
Canonical SMILES
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CACTVS |
3.341 |
Fc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GAKOBKPDJJGRIL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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31 (21 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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2009-02-03
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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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