Synonyms: dichloro-diphenylamine 2-carboxylic acid
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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3
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Hydrogen bond donors
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2
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Rotatable bonds
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3
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Topological polar surface area
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49.33
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Molecular weight
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281
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XLogP
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4.52
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No. Lipinski's rules broken
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0
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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SMILES / InChI / InChIKey
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Canonical SMILES
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Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O
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Isomeric SMILES
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Clc1cccc(c1)Nc1cc(Cl)ccc1C(=O)O
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InChI
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InChI=1S/C13H9Cl2NO2/c14-8-2-1-3-10(6-8)16-12-7-9(15)4-5-11(12)13(17)18/h1-7,16H,(H,17,18)
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InChI Key
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GSDQYSSLIKJJOG-UHFFFAOYSA-N
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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