Chemical ID: 4852414

COc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccccc3F
Chemical ID:
4852414
Name [?]:
3-(2-fluorophenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3ccccc3F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H12FNO3S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.22754
Area:527.19
Solvation:-4.95221
Coulombic:-46.4534
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:361.413
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.06
LogP (Chemaxon):4.09

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