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PHN : Summary
Code 
|
PHN
|
One-letter code 
|
X
|
Molecule name 
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1,10-PHENANTHROLINE
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Systematic names 
|
|
Formula 
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C12 H8 N2
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Formal charge 
|
0
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Molecular weight 
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180.205 Da
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SMILES 
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
n1c3c(ccc1)ccc2cccnc23 |
SMILES
|
CACTVS |
3.341 |
c1cnc2c(c1)ccc3cccnc23 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2ccc3cccnc3c2nc1 |
Canonical SMILES
|
CACTVS |
3.341 |
c1cnc2c(c1)ccc3cccnc23 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1cc2ccc3cccnc3c2nc1 |
|
IUPAC InChI  | InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H |
IUPAC InChI key  | DGEZNRSVGBDHLK-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count 
|
22 (14 without Hydrogen)
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Polymer type 
|
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 
|
Not Assigned
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Defined at 
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1999-07-08
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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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