Chemical ID: 5088742

CCCCn1c(nnc1SCCCl)c2ccc(cc2)Cl
Chemical ID:
5088742
Name [?]:
4-butyl-3-(2-chloroethylsulfanyl)-5-(4-chlorophenyl)-1,2,4-triazole
SMILES [?]:
CCCCn1c(nnc1SCCCl)c2ccc(cc2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17Cl2N3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:12.1865
Area:545.396
Solvation:-1.44838
Coulombic:-15.8758
Bond Count [?]
All:21
Single:16
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:330.276
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.73
LogP (Chemaxon):4.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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