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RSA : Summary
Code 
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RSA
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One-letter code 
|
X
|
Molecule name 
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N-PROPARGYL-1(S)-AMINOINDAN
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Systematic names 
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Formula 
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C12 H13 N
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Formal charge 
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0
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Molecular weight 
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171.238 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
C#CCNC2c1ccccc1CC2 |
SMILES
|
CACTVS |
3.341 |
C#CCN[CH]1CCc2ccccc12 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C#CCNC1CCc2c1cccc2 |
Canonical SMILES
|
CACTVS |
3.341 |
C#CCN[C@H]1CCc2ccccc12 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C#CCN[C@H]1CCc2c1cccc2 |
|
IUPAC InChI  | InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1 |
IUPAC InChI key  | RUOKEQAAGRXIBM-LBPRGKRZSA-N |
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wwPDB Information |
Atom count 
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26 (13 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 
|
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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2004-01-22
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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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