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Chemical ID: 5221762
Chemical ID:
5221762
Name [?]:
3-(2,4-dimethoxyphenyl)-1-[4-[3-(2,4-dimethoxyphenyl)prop-2-enoyl]phenyl]-prop-2-en-1-one
SMILES [?]:
COc1ccc(c(c1)OC)C=CC(=O)c2ccc(cc2)C(=O)C=Cc3ccc(cc3OC)OC
InChi [?]:
InChI=1/C28H26O6/c1-31-23-13-9-21(27(17-23)33-3)11-15-25(29)19-5-7-20(8-6-19)26(30)16-12-22-10-14-24(32-2)18-28(22)34-4/h5-18H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,34,10,32,16,20,17,19,5,26,11,24,4,27,12,23,8,29,15,18,6,25,3,28,13,21,7,30,14,22,2,33,9,31/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/rA:34nCOCCCCCCOCCCCOCCCCCCCOCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;d21;s21;w23;s24;s25;d26;s27;d28;d25s29;s30;s31;s28;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17951 |
Area: | 706.94 |
Solvation: | -8.494 |
Coulombic: | -46.7231 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 2 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 458.502 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.33 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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