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Chemical ID: 5397084
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
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Experimental Annotations
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Descriptor Annotations
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