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JFV : Summary
Code ![](/pdbe/static/images/help.png)
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JFV
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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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methyl 2-(4-aminophenoxy)benzoate
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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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C14 H13 N O3
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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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243.258 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 |
c2(Oc1ccc(cc1)N)c(C(OC)=O)cccc2 |
SMILES
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CACTVS |
3.385 |
COC(=O)c1ccccc1Oc2ccc(N)cc2 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
COC(=O)c1ccccc1Oc2ccc(cc2)N |
Canonical SMILES
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CACTVS |
3.385 |
COC(=O)c1ccccc1Oc2ccc(N)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
COC(=O)c1ccccc1Oc2ccc(cc2)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FXHKMQZPYDWTCS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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31 (18 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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2018-09-10
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Last modified at ![](/pdbe/static/images/help.png)
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2018-10-05
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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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