Chemical ID: 6449521

COC(=O)CCc1c(=O)[nH]c2ccccc2n1
Chemical ID:
6449521
Name [?]:
methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
SMILES [?]:
COC(=O)CCc1c(=O)[nH]c2ccccc2n1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H12N2O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.68258
Area:416.428
Solvation:-2.72813
Coulombic:-44.9927
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.235
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.22
LogP (Chemaxon):1.02

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