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Chemical ID: 4783085
Chemical ID:
4783085
Name [?]:
5-(2-chloro-4-fluoro-phenyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole
SMILES [?]:
c1cc(c(c(c1)Cl)c2nc(on2)c3ccc(cc3Cl)F)Cl
InChi [?]:
InChI=1/C14H6Cl3FN2O/c15-9-2-1-3-10(16)12(9)13-19-14(21-20-13)8-5-4-7(18)6-11(8)17/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,17,16,13,3,5,18,4,8,10,21,7,19,20,9,12,11/E:(2,3)(9,10)(15,16)/rA:21nCCCCCCClCNCONCCCCCCClFCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s10;d8s11;s10;s13;d14;s15;d16;d13s17;s18;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H6Cl3FN2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39732 |
Area: | 477.795 |
Solvation: | -2.54755 |
Coulombic: | -17.6028 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 343.567 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.13 |
LogP (Chemaxon): | 5.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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