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DFA : Summary
Code
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DFA
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One-letter code
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X
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Molecule name
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DIPHENYLACETIC ACID
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Systematic names
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Formula
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C14 H12 O2
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Formal charge
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0
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Molecular weight
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212.244 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(c1ccccc1)c2ccccc2 |
SMILES
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CACTVS |
3.341 |
OC(=O)C(c1ccccc1)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)C(c2ccccc2)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
OC(=O)C(c1ccccc1)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)C(c2ccccc2)C(=O)O |
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IUPAC InChI | InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16) |
IUPAC InChI key | PYHXGXCGESYPCW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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28 (16 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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2001-09-25
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Last modified at
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2011-06-04
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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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