Chemical ID: 4159484

Cc1c(cc2cc(ccc2n1)F)C(=O)O
Chemical ID:
4159484
Name [?]:
6-fluoro-2-methyl-quinoline-3-carboxylic acid
SMILES [?]:
Cc1c(cc2cc(ccc2n1)F)C(=O)O
InChi [?]:
InChI=1/C11H8FNO2/c1-6-9(11(14)15)5-7-4-8(12)2-3-10(7)13-6/h2-5H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,8,9,6,4,2,5,7,3,10,13,12,11,14,15/E:(14,15)/rA:15nCCCCCCCCCCNFCOO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8FNO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.0911
Area:347.913
Solvation:-2.60673
Coulombic:-35.9275
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:205.185
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.22
LogP (Chemaxon):0.23

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