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Chemical ID: 6836803
Chemical ID:
6836803
Name [?]:
1-[(4-fluorophenyl)methoxy]-4-phenyl-benzene
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OCc3ccc(cc3)F
InChi [?]:
InChI=1/C19H15FO/c20-18-10-6-15(7-11-18)14-21-19-12-8-17(9-13-19)16-4-2-1-3-5-16/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,16,20,8,12,17,19,9,11,14,15,4,7,18,10,21,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:21nCCCCCCCCCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15FO |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73888 |
Area: | 482.778 |
Solvation: | -3.33057 |
Coulombic: | -15.2155 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.32 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.75 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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