General Information of the Compound
| Compound ID |
CP0850834
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| Compound Name |
4,4'-(2,2-dichloroethene-1,1-diyl)bis(2,6-dinitrophenol)
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| Structure |
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| Formula |
C14H6Cl2N4O10
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| Molecular Weight |
461.126
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| Canonical SMILES |
O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O
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| InChI |
InChI=1S/C14H6Cl2N4O10/c15-14(16)11(5-1-7(17(23)24)12(21)8(2-5)18(25)26)6-3-9(19(27)28)13(22)10(4-6)20(29)30/h1-4,21-22H
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| InChIKey |
VZHWDFOBMSXVGL-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