Chemical ID: 4771987

c1cc(ccc1c2nc(on2)c3ccno3)C(F)(F)F
Chemical ID:
4771987
Name [?]:
5-isoxazol-5-yl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILES [?]:
c1cc(ccc1c2nc(on2)c3ccno3)C(F)(F)F
InChi [?]:
InChI=1/C12H6F3N3O2/c13-12(14,15)8-3-1-7(2-4-8)10-17-11(20-18-10)9-5-6-16-19-9/h1-6H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,14,6,3,12,7,9,17,18,19,20,15,8,11,16,10/E:(1,2)(3,4)(13,14,15)/rA:20nCCCCCCCNCONCCCNOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;d12;s13;d14;s12s15;s3;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H6F3N3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.68823
Area:434.304
Solvation:-3.16937
Coulombic:-35.6334
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.19
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.76
LogP (Chemaxon):3.23

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