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Chemical ID: 6847232
Chemical ID:
6847232
Name [?]:
2-(2-furyl)-3-[2-(4-isopropylphenyl)-2-oxo-ethoxy]-6,8-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4ccc(cc4)C(C)C)C
InChi [?]:
InChI=1/C26H24O5/c1-15(2)18-7-9-19(10-8-18)21(27)14-30-26-23(28)20-13-16(3)12-17(4)24(20)31-25(26)22-6-5-11-29-22/h5-13,15H,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:29,30,1,31,15,14,24,26,23,27,16,3,7,19,28,2,4,25,22,6,20,13,8,5,11,10,21,9,17,18,12/E:(1,2)(7,8)(9,10)/rA:31nCCCCCCCCOCCOCCCCOOCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s28;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24O5 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.455 |
Area: | 647.285 |
Solvation: | -5.72715 |
Coulombic: | -41.6913 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 416.466 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.96 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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