+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0CL | ||
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Name | Name: Wikipedia | Wikipedia - 1,3-Dichloropropane: 1,3-Dichloropropane is a compound of chlorine, hydrogen, and carbon. It may be found as a contaminant in soil fumigants containing 1,3-dichloropropene. It has low acute toxicity.
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-Chemical information
Composition | Formula: C3H6Cl2 / Number of atoms: 11 / Formula weight: 112.986 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0CL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3G4U | ||||
History |
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External links | UniChem / Brenda / ChEBI / 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-3g4u:
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and dichloropropane bound to the XE4 cavity