Chemical ID: 6678916

Cn1cc(ccc1=O)C(=O)O
Chemical ID:
6678916
Name [?]:
1-methyl-6-oxo-pyridine-3-carboxylic acid
SMILES [?]:
Cn1cc(ccc1=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C7H7NO3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.26138
Area:305.356
Solvation:-2.37251
Coulombic:-42.8318
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:153.135
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.44
LogP (Chemaxon):0.3

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