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Chemical ID: 7047950
Chemical ID:
7047950
Name [?]:
[3-oxo-2-(p-tolylmethylene)benzofuran-6-yl] 3-methoxybenzoate
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OC(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H18O5/c1-15-6-8-16(9-7-15)12-22-23(25)20-11-10-19(14-21(20)29-22)28-24(26)17-4-3-5-18(13-17)27-2/h3-14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,23,25,3,7,4,6,14,13,8,27,16,2,5,22,26,15,12,17,9,10,20,11,21,28,19,18/E:(6,7)(8,9)/rA:29nCCCCCCCCCCOCCCCCCOOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O5 |
All Atoms: | 47 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3982 |
Area: | 618.581 |
Solvation: | -4.06636 |
Coulombic: | -45.971 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.49 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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