Chemical ID: 3992577

c1cc(ccc1c2nnc(o2)S)F
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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