Chemical ID: 4781427

c1cc(ccc1c2cc(c(o2)C(F)(F)F)c3nc(no3)c4ccc(cc4)Cl)Cl
Chemical ID:
4781427
Name [?]:
3-(4-chlorophenyl)-5-[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furyl]-1,2,4-oxadiazole
SMILES [?]:
c1cc(ccc1c2cc(c(o2)C(F)(F)F)c3nc(no3)c4ccc(cc4)Cl)Cl
InChi [?]:
InChI=1/C19H9Cl2F3N2O2/c20-12-5-1-10(2-6-12)15-9-14(16(27-15)19(22,23)24)18-25-17(26-28-18)11-3-7-13(21)8-4-11/h1-9H
InChi Info:
AuxInfo=1/0/N:1,5,22,26,2,4,23,25,8,6,21,3,24,9,7,10,18,16,12,28,27,13,14,15,17,19,11,20/E:(1,2)(3,4)(5,6)(7,8)(22,23,24)/rA:28nCCCCCCCCCCOCFFFCNCNOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;s12;s12;s9;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H9Cl2F3N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0798
Area:605.439
Solvation:-3.05617
Coulombic:-41.7992
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.188
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.84
LogP (Chemaxon):6.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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