ChemDB: Chemical Search
Download
Chemical ID: 4110359
Chemical ID:
4110359
Name [?]:
4-hydroxy-7-methoxy-quinoline-3-carboxylic acid
SMILES [?]:
COc1ccc2c(c1)ncc(c2O)C(=O)O
InChi [?]:
InChI=1/C11H9NO4/c1-16-6-2-3-7-9(4-6)12-5-8(10(7)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,5,8,10,3,6,11,7,12,14,9,13,15,16,2/E:(14,15)/rA:16nCOCCCCCCNCCCOCOO/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.28922 |
Area: | 375.265 |
Solvation: | -4.09241 |
Coulombic: | -54.3246 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.193 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.45 |
LogP (Chemaxon): | 0.41 |
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 |
---|