General Information of the Compound
| Compound ID |
CP0169348
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| Compound Name |
4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenol
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| Structure |
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| Formula |
C15H14O4S2
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| Molecular Weight |
322.407
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| Canonical SMILES |
Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
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| InChI |
InChI=1S/C15H14O4S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14,16H,9-10H2
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| InChIKey |
AHDPJKYOQXMDIX-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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