Chemical ID: 3997674

c1ccc2c(c1)C(=NS2(=O)=O)NCCC(=O)O
Chemical ID:
3997674
Name [?]:
3-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)amino]propanoic acid
SMILES [?]:
c1ccc2c(c1)C(=NS2(=O)=O)NCCC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H10N2O4S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.41586
Area:425.689
Solvation:-3.22637
Coulombic:-43.8087
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.263
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.27
LogP (Chemaxon):0.37

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