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Chemical ID: 6879695
Chemical ID:
6879695
Name [?]:
3-[(2-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-6-methyl-chromen-4-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCc4ccccc4F
InChi [?]:
InChI=1/C24H19FO4/c1-15-7-12-21-19(13-15)22(26)24(28-14-17-5-3-4-6-20(17)25)23(29-21)16-8-10-18(27-2)11-9-16/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,25,26,24,27,3,14,18,15,17,4,7,22,2,13,23,16,6,28,5,8,11,10,29,9,19,21,12/E:(8,9)(10,11)/rA:29nCCCCCCCCOCCOCCCCCCOCOCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19FO4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1849 |
Area: | 591.106 |
Solvation: | -4.59278 |
Coulombic: | -39.8037 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.404 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.09 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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