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Chemical ID: 7048408
Chemical ID:
7048408
Name [?]:
2-[(2-ethoxyphenyl)methylene]-6-[(4-fluorophenyl)methoxy]benzofuran-3-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C24H19FO4/c1-2-27-21-6-4-3-5-17(21)13-23-24(26)20-12-11-19(14-22(20)29-23)28-15-16-7-9-18(25)10-8-16/h3-14H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,24,28,25,27,16,15,10,18,22,23,9,26,17,14,4,19,11,12,29,13,3,21,20/E:(7,8)(9,10)/rA:29nCCOCCCCCCCCCOCCCCCCOOCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;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: | 10.309 |
Area: | 624.278 |
Solvation: | -5.29797 |
Coulombic: | -38.2837 |
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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