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96B : Summary
Code ![](/pdbe/static/images/help.png)
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96B
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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(2R)-2-phenylpyrrolidine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C10 H13 N
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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147.217 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
N1C(CCC1)c2ccccc2 |
SMILES
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CACTVS |
3.385 |
C1CN[CH](C1)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)C2CCCN2 |
Canonical SMILES
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CACTVS |
3.385 |
C1CN[C@H](C1)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1ccc(cc1)[C@H]2CCCN2 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2/t10-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JUTDHSGANMHVIC-SNVBAGLBSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (11 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2015-03-04
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Last modified at ![](/pdbe/static/images/help.png)
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2016-04-01
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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