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JMS : Summary
Code
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JMS
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One-letter code
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X
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Molecule name
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2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid
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Synonyms
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meclofenamic acid
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Systematic names
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Formula
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C14 H11 Cl2 N O2
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Formal charge
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0
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Molecular weight
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296.149 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Clc2ccc(c(Cl)c2Nc1ccccc1C(=O)O)C |
SMILES
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CACTVS |
3.370 |
Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl |
SMILES
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OpenEye OEToolkits |
1.7.0 |
Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl |
Canonical SMILES
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CACTVS |
3.370 |
Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl |
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IUPAC InChI | InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) |
IUPAC InChI key | SBDNJUWAMKYJOX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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30 (19 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAD
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2011-03-22
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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