General Information of the Compound
| Compound ID |
CP0964788
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| Compound Name |
3-(2-chloro-4-nitrophenoxy)benzoic acid
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| Structure |
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| Formula |
C13H8ClNO5
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| Molecular Weight |
293.662
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| Canonical SMILES |
O=C(O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1
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| InChI |
InChI=1S/C13H8ClNO5/c14-11-7-9(15(18)19)4-5-12(11)20-10-3-1-2-8(6-10)13(16)17/h1-7H,(H,16,17)
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| InChIKey |
ATRCVLZXQWTQDX-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