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CLW : Summary
Code
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CLW
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One-letter code
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X
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Molecule name
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CHLORZOXAZONE
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Systematic names
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Formula
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C7 H4 Cl N O2
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Formal charge
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0
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Molecular weight
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169.565 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc2cc1c(OC(=O)N1)cc2 |
SMILES
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CACTVS |
3.341 |
Clc1ccc2OC(=O)Nc2c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c(cc1Cl)NC(=O)O2 |
Canonical SMILES
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CACTVS |
3.341 |
Clc1ccc2OC(=O)Nc2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc2c(cc1Cl)NC(=O)O2 |
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IUPAC InChI | InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) |
IUPAC InChI key | TZFWDZFKRBELIQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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15 (11 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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2002-07-26
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Last modified at
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2020-06-17
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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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