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DIF : Summary
Code
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DIF
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One-letter code
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X
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Molecule name
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2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID
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Synonyms
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DICLOFENAC
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Systematic names
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Formula
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C14 H11 Cl2 N O2
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Formal charge
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0
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Molecular weight
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296.149 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O |
SMILES
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CACTVS |
3.341 |
OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl |
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IUPAC InChI | InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) |
IUPAC InChI key | DCOPUUMXTXDBNB-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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30 (19 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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2000-01-28
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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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