Chemical ID: 4176345

CCSc1nnc(o1)c2ccccc2Cl
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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