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Chemical ID: 3992866
Chemical ID:
3992866
Name [?]:
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-thiol
SMILES [?]:
c1ccc(c(c1)c2nnc(o2)S)Cl
InChi [?]:
InChI=1/C8H5ClN2OS/c9-6-4-2-1-3-5(6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,13,8,9,11,12/rA:13nCCCCCCCNNCOSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5ClN2OS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.83497 |
Area: | 362.096 |
Solvation: | -1.21741 |
Coulombic: | -17.9374 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 212.657 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.9 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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