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Chemical ID: 4176345
Chemical ID:
4176345
Name [?]:
2-(2-chlorophenyl)-5-ethylsulfanyl-1,3,4-oxadiazole
SMILES [?]:
CCSc1nnc(o1)c2ccccc2Cl
InChi [?]:
InChI=1/C10H9ClN2OS/c1-2-15-10-13-12-9(14-10)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,9,14,7,4,15,6,5,8,3/rA:15nCCSCNNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9ClN2OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28037 |
Area: | 410.597 |
Solvation: | -0.984567 |
Coulombic: | -17.6786 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 240.71 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.62 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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