Chemical ID: 3845239

Cc1nnc(n1c2cccc(c2)Cl)SCC(=O)c3ccccc3
Chemical ID:
3845239
Name [?]:
2-[[4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone
SMILES [?]:
Cc1nnc(n1c2cccc(c2)Cl)SCC(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14ClN3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0528
Area:550.966
Solvation:-2.72129
Coulombic:-21.2518
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.831
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.59
LogP (Chemaxon):3.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue