Chemical ID: 5664057

CC(=O)CSc1nnc(n1Cc2ccco2)c3ccc(cc3)Cl
Chemical ID:
5664057
Name [?]:
1-[[5-(4-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
SMILES [?]:
CC(=O)CSc1nnc(n1Cc2ccco2)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H14ClN3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.77081
Area:538.76
Solvation:-3.69819
Coulombic:-26.9889
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.82
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.47
LogP (Chemaxon):3.55

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