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IMM : Summary
Code ![](/pdbe/static/images/help.png)
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IMM
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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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1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-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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C19 H16 I N O4
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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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449.239 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 |
10.04 |
Ic1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)O |
SMILES
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CACTVS |
3.341 |
COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(I)cc3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(I)cc3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H16INO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | CXBFZYKAVCAPSV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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41 (25 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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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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