General Information of the Compound
| Compound ID |
CP0434674
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| Compound Name |
4-(4-fluoro-2-fluorosulfonylphenyl)benzoic acid
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| Structure |
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| Formula |
C13H8F2O4S
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| Molecular Weight |
298.266
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1ccc(F)cc1S(F)(=O)=O
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| InChI |
InChI=1S/C13H8F2O4S/c14-10-5-6-11(12(7-10)20(15,18)19)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
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| InChIKey |
NYUYMWSJEWWYFW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound