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ZOM : Summary
Code ![](/pdbe/static/images/help.png)
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ZOM
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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-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid
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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 H14 Cl N O3
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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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291.73 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 |
O=C(c1c(cc(n1C)CC(=O)O)C)c2ccc(Cl)cc2 |
SMILES
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CACTVS |
3.370 |
Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
Cc1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZXVNMYWKKDOREA-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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HETAD
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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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2011-03-29
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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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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