+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 7CL | ||
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Name | Name: Wikipedia | Wikipedia - 1-Chloropentane: 1-Chloropentane is an alkyl halide with the chemical formula CH3(CH2)4Cl. It is a colorless, flammable liquid. It can be prepared from 1-pentanol by treatment with hydrogen chloride.
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-Chemical information
Composition | Formula: C5H11Cl / Number of atoms: 17 / Formula weight: 106.594 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7CL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3G4V | ||||
History |
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External links | UniChem / Brenda / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-3g4v:
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloropentane bound to the XE4 cavity