ChemDB: Chemical Search
Download
Chemical ID: 6700991
Chemical ID:
6700991
Name [?]:
8-methyl-4-oxo-1H-quinoline-3-carboxylate
SMILES [?]:
Cc1cccc2c1[nH]cc(c2=O)C(=O)[O-]
InChi [?]:
InChI=1/C11H9NO3/c1-6-3-2-4-7-9(6)12-5-8(10(7)13)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,3,5,9,2,6,10,7,11,13,8,12,14,15/E:(14,15)/rA:15nCCCCCCCNCCCOCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s10;d11;s10;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8NO3- |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.764 |
Area: | 354.254 |
Solvation: | -44.6203 |
Coulombic: | -19.0904 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 202.186 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.07 |
LogP (Chemaxon): | 1.98 |
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 |
---|