General Information of the Compound
| Compound ID |
CP0024613
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| Compound Name |
3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]benzoic acid
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| Structure |
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| Formula |
C16H14Cl2O4
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| Molecular Weight |
341.19
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| Canonical SMILES |
CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)C(O)=O)ccc1O
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| InChI |
InChI=1S/C16H14Cl2O4/c1-8(2)11-7-10(3-4-14(11)19)22-15-12(17)5-9(16(20)21)6-13(15)18/h3-8,19H,1-2H3,(H,20,21)
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| InChIKey |
TVQYCFFCYRSFQF-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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