Chemical ID: 5397084

CCc1nnc(o1)SCC(=O)c2ccc(cc2)F
Chemical ID:
5397084
Name [?]:
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)-ethanone
SMILES [?]:
CCc1nnc(o1)SCC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C12H11FN2O2S/c1-2-11-14-15-12(17-11)18-7-10(16)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,17,14,16,9,12,15,10,3,6,18,4,5,11,7,8/E:(3,4)(5,6)/rA:18nCCCNNCOSCCOCCCCCCF/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11FN2O2S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.88187
Area:455.291
Solvation:-3.5004
Coulombic:-25.622
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:266.292
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.4
LogP (Chemaxon):1.97

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue