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Chemical ID: 7048407
Chemical ID:
7048407
Name [?]:
2-[(4-ethoxyphenyl)methylene]-6-[(4-fluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C24H19FO4/c1-2-27-19-9-5-16(6-10-19)13-23-24(26)21-12-11-20(14-22(21)29-23)28-15-17-3-7-18(25)8-4-17/h3-14H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,24,28,6,8,25,27,5,9,16,15,10,18,22,7,23,26,4,17,14,19,11,12,29,13,3,21,20/E:(3,4)(5,6)(7,8)(9,10)/rA:29nCCOCCCCCCCCCOCCCCCCOOCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19FO4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1232 |
Area: | 623.883 |
Solvation: | -5.47389 |
Coulombic: | -37.8289 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.404 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.76 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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