Chemical ID: 4736032

Cc1c(c(no1)c2ccc(cc2)Cl)c3ccnc(n3)S
Chemical ID:
4736032
Name [?]:
4-[3-(4-chlorophenyl)-5-methyl-isoxazol-4-yl]pyrimidine-2-thiol
SMILES [?]:
Cc1c(c(no1)c2ccc(cc2)Cl)c3ccnc(n3)S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H10ClN3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.79047
Area:461.561
Solvation:-2.74856
Coulombic:-17.4038
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:303.768
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.58
LogP (Chemaxon):3.88

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