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Chemical ID: 7040163
Chemical ID:
7040163
Name [?]:
[3-[3-(2,5-dimethoxyphenyl)-3-oxo-prop-1-enyl]phenyl] 3,4-dimethoxybenzoate
SMILES [?]:
COc1ccc(c(c1)C(=O)C=Cc2cccc(c2)OC(=O)c3ccc(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C26H24O7/c1-29-19-10-13-23(30-2)21(16-19)22(27)11-8-17-6-5-7-20(14-17)33-26(28)18-9-12-24(31-3)25(15-18)32-4/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,31,29,15,14,16,12,23,4,11,24,5,18,27,8,13,22,3,17,7,9,6,25,26,20,10,21,2,32,30,28,19/rA:33nCOCCCCCCCOCCCCCCCCOCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s6;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24O7 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23897 |
Area: | 714.146 |
Solvation: | -9.61468 |
Coulombic: | -55.4465 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 448.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.23 |
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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