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HUY : Summary
Code ![](/pdbe/static/images/help.png)
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HUY
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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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1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
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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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C15 H12 F3 N 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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279.257 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 |
CC(c1ccccc1Nc2cccc(c2)C(F)(F)F)=O |
SMILES
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CACTVS |
3.385 |
CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H12F3NO/c1-10(20)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(16,17)18/h2-9,19H,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IYINOXIKOXORQM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (20 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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2018-07-23
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Last modified at ![](/pdbe/static/images/help.png)
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2019-01-04
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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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