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Chemical ID: 7040151
Chemical ID:
7040151
Name [?]:
[4-[3-(2,5-dimethoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=CC(=O)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C26H24O7/c1-29-19-9-7-18(8-10-19)26(28)33-24-13-6-17(15-25(24)32-4)5-12-22(27)21-16-20(30-2)11-14-23(21)31-3/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,33,31,19,20,14,5,7,4,8,27,21,13,28,16,25,15,6,3,26,24,22,29,12,17,9,23,10,2,32,30,18,11/E:(7,8)(9,10)/rA:33nCOCCCCCCCOOCCCCCCOCCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;w20;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;s26;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24O7 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96384 |
Area: | 712.475 |
Solvation: | -8.84805 |
Coulombic: | -56.7038 |
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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