+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4CH | ||
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Name | Name: Wikipedia | Wikipedia - 4-Chlorophenol: 4-Chlorophenol is an organic compound with the formula C6H4ClOH. It is one of three monochlorophenol isomers. It is a colorless or white solid that melts easily and exhibits significant solubility in water. Its pKa is 9.14.
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-Chemical information
Composition | Formula: C6H5ClO / Number of atoms: 13 / Formula weight: 128.556 / Formal charge: 0 | ||||||
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Others | 3fny | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / 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 6 items
PDB-3lb3:
Two-site competitive inhibition in dehaloperoxidase-hemoglobin
PDB-4awu:
Crystal structure of the oxidized Shewanella Yellow Enzyme 1 (SYE1) M25L mutant in complex with para-chlorophenol
PDB-4df2:
P. stipitis OYE2.6 complexed with p-Chlorophenol
PDB-5m8w:
PCE reductive dehalogenase from S. multivorans in complex with 4-chlorophenol
PDB-7dqw:
E. coli GyrB ATPase domain in complex with 4-chlorophenol
PDB-7m0h:
DHP B in complex with 4-chlorophenol ligand