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- ChemComp-HNF: 7-nitro-9H-fluoren-2-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: HNF
NameName: 7-nitro-9H-fluoren-2-ol / Synonyms: 2-hydroxy-7-nitrofluorene

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Chemical information

Composition
Formula: C13H9NO3 / Number of atoms: 26 / Formula weight: 227.215 / Formal charge: 0
Others

2kgz
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HNF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2KGZ
History
Create componentMar 27, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / ChEMBL / CompTox / HMDB / PubChem / 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 3.352Oc1ccc2c(Cc3cc(ccc23)[N+]([O-])=O)c1
OpenEye OEToolkits 1.6.1c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O

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SMILES CANONICAL

CACTVS 3.352Oc1ccc2c(Cc3cc(ccc23)[N+]([O-])=O)c1
OpenEye OEToolkits 1.6.1c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O

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InChI

InChI 1.03InChI=1S/C13H9NO3/c15-11-2-4-13-9(7-11)5-8-6-10(14(16)17)1-3-12(8)13/h1-4,6-7,15H,5H2

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InChIKey

InChI 1.03VFTOHJFKIJLYKN-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-2kh0:
2-Hydroxy-7-nitrofluorene covalently linked into a 13mer DNA duplex - solution structure of the face-down orientation

PDB-2kh1:
2-Hydroxy-7-nitrofluorene covalently linked into a 13mer DNA duplex - solution structure of the face-up orientation

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