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DUB : Summary
Code
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DUB
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One-letter code
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X
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Molecule name
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2,6-dichlorophenol
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Systematic names
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Formula
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C6 H4 Cl2 O
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Formal charge
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0
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Molecular weight
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163.001 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Oc1c(Cl)cccc1Cl |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(c(c(c1)Cl)O)Cl |
Canonical SMILES
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CACTVS |
3.385 |
Oc1c(Cl)cccc1Cl |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(c(c(c1)Cl)O)Cl |
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IUPAC InChI | InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H |
IUPAC InChI key | HOLHYSJJBXSLMV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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13 (9 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2016-11-03
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Last modified at
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2017-07-07
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Status
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Released
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Obsoleted
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Not Assigned
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