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LE9 : Summary
Code ![](/pdbe/static/images/help.png)
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LE9
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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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4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-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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C4 H3 Br F3 N3
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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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229.986 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Nc1n[nH]c(c1Br)C(F)(F)F |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1(c([nH]nc1N)C(F)(F)F)Br |
Canonical SMILES
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CACTVS |
3.385 |
Nc1n[nH]c(c1Br)C(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1(c([nH]nc1N)C(F)(F)F)Br |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C4H3BrF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZHAMWMKUYVFDJH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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14 (11 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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2022-07-01
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Last modified at ![](/pdbe/static/images/help.png)
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2022-11-04
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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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