Chemical ID: 4149388

c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)O
Chemical ID:
4149388
Name [?]:
4-oxo-1H-quinoline-3-carboxylic acid
SMILES [?]:
c1ccc2c(c1)c(=O)c(c[nH]2)C(=O)O
InChi [?]:
InChI=1/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,9,4,7,12,11,8,13,14/E:(13,14)/rA:14nCCCCCCCOCCNCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s9;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.64965
Area:339.213
Solvation:-2.83067
Coulombic:-46.3681
Bond Count [?]
All:15
Single:9
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.168
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.32
LogP (Chemaxon):1.51

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