General Information of the Compound
| Compound ID |
CP0422187
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| Compound Name |
(3-methoxyphenyl) (E)-2-(3-chlorophenyl)ethenesulfonate
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| Structure |
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| Formula |
C15H13ClO4S
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| Molecular Weight |
324.785
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| Canonical SMILES |
COc1cccc(OS(=O)(=O)\C=C\c2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C15H13ClO4S/c1-19-14-6-3-7-15(11-14)20-21(17,18)9-8-12-4-2-5-13(16)10-12/h2-11H,1H3/b9-8+
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| InChIKey |
BFZVAZPTMXBHCG-CMDGGOBGSA-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