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FZ4 : Summary
Code 
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FZ4
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One-letter code 
|
X
|
Molecule name 
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2-aminoethyl diphenylborinate
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Systematic names 
|
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Formula 
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C14 H16 B N O
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Formal charge 
|
0
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Molecular weight 
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225.094 Da
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SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
B(c1ccccc1)(c2ccccc2)OCCN |
SMILES
|
CACTVS |
3.385 |
NCCOB(c1ccccc1)c2ccccc2 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
B(c1ccccc1)(c2ccccc2)OCCN |
Canonical SMILES
|
CACTVS |
3.385 |
NCCOB(c1ccccc1)c2ccccc2 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
B(c1ccccc1)(c2ccccc2)OCCN |
|
IUPAC InChI  | InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2 |
IUPAC InChI key  | BLZVCIGGICSWIG-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
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33 (17 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 
|
No
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Standard parent 
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Not Assigned
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Defined at 
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2018-04-26
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Last modified at 
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2018-07-13
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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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