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- ChemComp-9CA: 9H-CARBAZOLE -

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Basic information

EntryDatabase: PDB chemical components / ID: 9CA
NameName: 9H-carbazole

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Chemical information

Composition
Formula: C12H9N / Number of atoms: 22 / Formula weight: 167.207 / Formal charge: 0
Others

2de7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9CA / Model coordinates PDB-ID: 2DE7
History
Create componentFeb 14, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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

ACDLabs 10.04c1cccc3c1c2c(cccc2)n3
CACTVS 3.341[nH]1c2ccccc2c3ccccc13
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c3ccccc3[nH]2

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SMILES CANONICAL

CACTVS 3.341[nH]1c2ccccc2c3ccccc13
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c3ccccc3[nH]2

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InChI

InChI 1.03InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

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InChIKey

InChI 1.03UJOBWOGCFQCDNV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.049H-carbazole
OpenEye OEToolkits 1.5.09H-carbazole

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