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CAE : Summary
Code
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CAE
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One-letter code
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X
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Molecule name
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CAMPHANE
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Systematic names
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Formula
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C10 H18
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Formal charge
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0
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Molecular weight
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138.25 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
CC2(C)C1CCC2(CC1)C |
SMILES
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CACTVS |
3.341 |
CC12CCC(CC1)C2(C)C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1(C2CCC1(CC2)C)C |
Canonical SMILES
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CACTVS |
3.341 |
CC12CCC(CC1)C2(C)C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC1(C2CCC1(CC2)C)C |
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IUPAC InChI | InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3/t8-,10+ |
IUPAC InChI key | BEWYHVAWEKZDPP-WAAGHKOSSA-N |
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wwPDB Information |
Atom count
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28 (10 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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2001-01-26
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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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