Chemical ID: 4239459

Cc1nnc(n1c2ccc(cc2)Cl)SCC=C
Chemical ID:
4239459
Name [?]:
3-allylsulfanyl-4-(4-chlorophenyl)-5-methyl-1,2,4-triazole
SMILES [?]:
Cc1nnc(n1c2ccc(cc2)Cl)SCC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H12ClN3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.1209
Area:455.785
Solvation:-1.27378
Coulombic:-14.5132
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.763
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.88
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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