Chemical ID: 7359994

c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
Chemical ID:
7359994
Name [?]:
4-[5-[3-(trifluoromethyl)phenyl]-2-furyl]thiadiazole
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
InChi [?]:
InChI=1/C13H7F3N2OS/c14-13(15,16)9-3-1-2-8(6-9)11-4-5-12(19-11)10-7-20-18-17-10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,4,17,3,5,16,11,14,7,8,9,10,20,19,15,18/E:(14,15,16)/rA:20nCCCCCCCFFFCCCCOCCSNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s12;d13;s11s14;s14;d16;s17;s18;s16d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7F3N2OS
All Atoms:27
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.65913
Area:451.275
Solvation:-2.62276
Coulombic:-29.6554
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.269
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.33
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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