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Chemical ID: 5246797
Chemical ID:
5246797
Name [?]:
[4-[4-(4-acetoxybenzoyl)benzoyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1)C(=O)c2ccc(cc2)C(=O)c3ccc(cc3)OC(=O)C
InChi [?]:
InChI=1/C24H18O6/c1-15(25)29-21-11-7-19(8-12-21)23(27)17-3-5-18(6-4-17)24(28)20-9-13-22(14-10-20)30-16(2)26/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,14,18,15,17,7,9,22,26,6,10,23,25,2,28,13,16,8,21,5,24,11,19,3,29,12,20,4,27/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)/rA:30nCCOOCCCCCCCOCCCCCCCOCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O6 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0317 |
Area: | 645.754 |
Solvation: | -5.11209 |
Coulombic: | -53.4047 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.7 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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