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Chemical ID: 5274909
Chemical ID:
5274909
Name [?]:
6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylene]benzofuran-3-one
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C=C3C(=O)c4ccc(cc4O3)OCc5ccc(cc5)F
InChi [?]:
InChI=1/C28H19FO3/c29-23-12-8-20(9-13-23)18-31-24-14-15-25-26(17-24)32-27(28(25)30)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-17H,18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,11,27,31,8,12,28,30,19,18,13,21,25,10,26,4,7,29,20,17,22,14,15,32,16,24,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:32nCCCCCCCCCCCCCCCOCCCCCCOOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H19FO3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5137 |
Area: | 654.135 |
Solvation: | -4.83965 |
Coulombic: | -32.4508 |
Bond Count [?]
All: | 36 |
Single: | 22 |
Double: | 14 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 422.447 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 7.36 |
LogP (Chemaxon): | 6.68 |
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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