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AN3 : Summary
Code
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AN3
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One-letter code
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X
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Molecule name
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ANTHRACENE
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Systematic names
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Formula
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C14 H10
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Formal charge
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0
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Molecular weight
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178.229 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
c3ccc2cc1ccccc1cc2c3 |
SMILES
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CACTVS |
3.341 |
c1ccc2cc3ccccc3cc2c1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2cc3ccccc3cc2c1 |
Canonical SMILES
|
CACTVS |
3.341 |
c1ccc2cc3ccccc3cc2c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc2cc3ccccc3cc2c1 |
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IUPAC InChI | InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H |
IUPAC InChI key | MWPLVEDNUUSJAV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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24 (14 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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2006-07-13
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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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