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Chemical ID: 7359994
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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