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Chemical ID: 3992577
Chemical ID:
3992577
Name [?]:
5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thiol
SMILES [?]:
c1cc(ccc1c2nnc(o2)S)F
InChi [?]:
InChI=1/C8H5FN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,10,13,8,9,11,12/E:(1,2)(3,4)/rA:13nCCCCCCCNNCOSF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5FN2OS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.66888 |
Area: | 347.43 |
Solvation: | -2.01686 |
Coulombic: | -20.787 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 196.203 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.44 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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