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2O6 : Summary
Code ![](/pdbe/static/images/help.png)
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2O6
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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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5-(trifluoromethyl)-1,2-benzoxazol-3-amine
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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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C8 H5 F3 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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202.133 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 |
FC(F)(F)c2cc1c(onc1N)cc2 |
SMILES
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CACTVS |
3.385 |
Nc1noc2ccc(cc12)C(F)(F)F |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cc2c(cc1C(F)(F)F)c(no2)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1noc2ccc(cc12)C(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cc2c(cc1C(F)(F)F)c(no2)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LSKOZQNIAMSAIB-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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19 (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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2013-12-13
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Last modified at ![](/pdbe/static/images/help.png)
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2014-05-09
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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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