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GKF : Summary
Code ![](/pdbe/static/images/help.png)
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GKF
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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-iodanyl-1~{H}-indazole-7-carbaldehyde
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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 I 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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272.043 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 |
Ic1n[nH]c2c(C=O)cccc12 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(c2c(c1)c(n[nH]2)I)C=O |
Canonical SMILES
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CACTVS |
3.385 |
Ic1n[nH]c2c(C=O)cccc12 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(c2c(c1)c(n[nH]2)I)C=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C8H5IN2O/c9-8-6-3-1-2-5(4-12)7(6)10-11-8/h1-4H,(H,10,11) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QWWAONJINWEHJL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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17 (12 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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2020-09-03
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Last modified at ![](/pdbe/static/images/help.png)
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2020-09-11
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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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