ChemDB: Chemical Search
Download
Chemical ID: 6291344
Chemical ID:
6291344
Name [?]:
2-(4-fluorophenyl)-6-methoxy-quinoline-4-carboxylic acid
SMILES [?]:
COc1ccc2c(c1)c(cc(n2)c3ccc(cc3)F)C(=O)O
InChi [?]:
InChI=1/C17H12FNO3/c1-22-12-6-7-15-13(8-12)14(17(20)21)9-16(19-15)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,14,18,15,17,4,5,8,10,13,16,3,7,9,6,11,20,19,12,21,22,2/E:(2,3)(4,5)(20,21)/rA:22nCOCCCCCCCCCNCCCCCCFCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;d14;s15;d16;d13s17;s16;s9;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12FNO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55332 |
Area: | 473.365 |
Solvation: | -4.2808 |
Coulombic: | -44.1418 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.281 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.62 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|