Chemical ID: 4789730

C=CCn1c(nnc1SCc2c(cccc2Cl)Cl)c3ccccc3Cl
Chemical ID:
4789730
Name [?]:
4-allyl-3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazole
SMILES [?]:
C=CCn1c(nnc1SCc2c(cccc2Cl)Cl)c3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14Cl3N3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:13.1486
Area:594.493
Solvation:-1.71367
Coulombic:-18.2809
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:410.748
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:7.98
LogP (Chemaxon):6.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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