ChemDB: Chemical Search
Download
Chemical ID: 4663682
Chemical ID:
4663682
Name [?]:
methyl quinoline-6-carboxylate
SMILES [?]:
COC(=O)c1ccc2c(c1)cccn2
InChi [?]:
InChI=1/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,6,7,13,10,9,5,8,3,14,4,2/rA:14nCOCOCCCCCCCCCN/rB:s1;s2;d3;s3;s5;d6;s7;s8;d5s9;d9;s11;d12;d8s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.79446 |
Area: | 354.379 |
Solvation: | -2.06502 |
Coulombic: | -25.3266 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 187.195 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.68 |
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 |
---|