Chemical ID: 5303997

c1cc(c(c(c1)Cl)CSc2nnc(n2c3ccc(cc3)Cl)c4ccco4)Cl
Chemical ID:
5303997
Name [?]:
4-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazole
SMILES [?]:
c1cc(c(c(c1)Cl)CSc2nnc(n2c3ccc(cc3)Cl)c4ccco4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H12Cl3N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.4316
Area:622.782
Solvation:-2.13798
Coulombic:-23.902
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:436.742
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.63
LogP (Chemaxon):6.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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