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TQK : Summary
Code ![](/pdbe/static/images/help.png)
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TQK
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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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2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde
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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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C17 H14 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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262.306 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 |
Cc1cc(ccc1C=O)n2ccnc2c3ccccc3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(ccc1C=O)n2ccnc2c3ccccc3 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1cc(ccc1C=O)n2ccnc2c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(ccc1C=O)n2ccnc2c3ccccc3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H14N2O/c1-13-11-16(8-7-15(13)12-20)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JLZNBKMFWOJNBX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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34 (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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2021-01-12
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Last modified at ![](/pdbe/static/images/help.png)
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2021-06-11
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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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