Chemical ID: 4348112

CSc1ccccc1NC(=O)C=CC(=O)O
Chemical ID:
4348112
Name [?]:
4-(2-methylsulfanylphenyl)amino-4-oxo-but-2-enoic acid
SMILES [?]:
CSc1ccccc1NC(=O)C=CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H11NO3S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.64356
Area:409.94
Solvation:-3.60494
Coulombic:-47.4335
Bond Count [?]
All:16
Single:10
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:237.276
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.68
LogP (Chemaxon):2.24

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