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- ChemComp-I7W: 6-fluoranylnaphthalene-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: I7W
NameName: 6-fluoranylnaphthalene-2-carboxylic acid

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Chemical information

Composition
Formula: C11H7FO2 / Number of atoms: 21 / Formula weight: 190.17 / Formal charge: 0
Others

7yy4

Type: non-polymer / PDB classification: HETAIN / Three letter code: I7W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7YY4
History
Create componentFeb 17, 2022
Initial releaseJun 29, 2022
Modify descriptorAug 22, 2022
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385OC(=O)c1ccc2cc(F)ccc2c1
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc(cc2)F)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1ccc2cc(F)ccc2c1
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc(cc2)F)C(=O)O

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InChI

InChI 1.06InChI=1S/C11H7FO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)

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InChIKey

InChI 1.06CYKDCZRPLWJEKA-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7yy4:
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 8

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