ChemDB: Chemical Search
Download
Chemical ID: 4292206
Chemical ID:
4292206
Name [?]:
4-hydroxy-6-methyl-quinoline-3-carboxylic acid
SMILES [?]:
Cc1ccc2c(c1)c(c(cn2)C(=O)O)O
InChi [?]:
InChI=1/C11H9NO3/c1-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,10,2,6,9,5,8,12,11,15,13,14/E:(14,15)/rA:15nCCCCCCCCCCNCOOO/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s9;d12;s12;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.16676 |
Area: | 357.313 |
Solvation: | -2.76607 |
Coulombic: | -48.1068 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.194 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.97 |
LogP (Chemaxon): | 1.13 |
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 |
---|