ChemDB: Chemical Search
Download
Chemical ID: 6329899
Chemical ID:
6329899
Name [?]:
2-(5-chloro-2-thienyl)-6-methyl-quinoline-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)c3ccc(s3)Cl)C(=O)[O-]
InChi [?]:
InChI=1/C15H10ClNO2S/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(17-11)13-4-5-14(16)20-13/h2-7H,1H3,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,13,14,7,9,2,6,8,5,10,12,15,18,17,11,19,20,16/E:(18,19)/rA:20nCCCCCCCCCCNCCCCSClCOO-/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;d12;s13;d14;s12s15;s15;s8;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9ClNO2S- |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -28.9132 |
Area: | 477.941 |
Solvation: | -40.8617 |
Coulombic: | -10.2388 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.756 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.0 |
LogP (Chemaxon): | 4.06 |
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 |
---|