Chemical ID: 4783085

c1cc(c(c(c1)Cl)c2nc(on2)c3ccc(cc3Cl)F)Cl
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

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