Chemical ID: 5145101

C#CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2
Chemical ID:
5145101
Name [?]:
2-(4-fluorophenyl)imino-5-[(4-prop-2-ynoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
C#CCOc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)F)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H13FN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.54703
Area:561.597
Solvation:-4.49291
Coulombic:-41.9221
Bond Count [?]
All:27
Single:17
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:352.383
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):4.51

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