General Information of the Compound
| Compound ID |
CP0850838
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| Compound Name |
4,4'-(propane-2,2-diyl)bis(2,6-dinitrophenol)
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| Structure |
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| Formula |
C15H12N4O10
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| Molecular Weight |
408.279
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| Canonical SMILES |
CC(C)(c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C15H12N4O10/c1-15(2,7-3-9(16(22)23)13(20)10(4-7)17(24)25)8-5-11(18(26)27)14(21)12(6-8)19(28)29/h3-6,20-21H,1-2H3
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| InChIKey |
XGDRLUOCCGMFEF-UHFFFAOYSA-N
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| CAS |
7239-54-5
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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