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54F : Summary
Code ![](/pdbe/static/images/help.png)
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54F
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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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3-(pyridin-2-yloxy)aniline
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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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C11 H10 N2 O
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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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186.21 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 |
O(c1cc(N)ccc1)c2ncccc2 |
SMILES
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CACTVS |
3.370 |
Nc1cccc(Oc2ccccn2)c1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccnc(c1)Oc2cccc(c2)N |
Canonical SMILES
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CACTVS |
3.370 |
Nc1cccc(Oc2ccccn2)c1 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccnc(c1)Oc2cccc(c2)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H10N2O/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h1-8H,12H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CLQMOPKXIBQKKG-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (14 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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2012-07-02
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Last modified at ![](/pdbe/static/images/help.png)
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2012-11-23
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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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