ChemDB: Chemical Search
Download
Chemical ID: 6328060
Chemical ID:
6328060
Name [?]:
2-(4-ethylphenyl)-6,8-dimethyl-quinoline-4-carboxylic acid
SMILES [?]:
CCc1ccc(cc1)c2cc(c3cc(cc(c3n2)C)C)C(=O)O
InChi [?]:
InChI=1/C20H19NO2/c1-4-14-5-7-15(8-6-14)18-11-17(20(22)23)16-10-12(2)9-13(3)19(16)21-18/h5-11H,4H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,19,2,4,8,5,7,15,13,10,14,16,3,6,12,11,9,17,21,18,22,23/E:(5,6)(7,8)(22,23)/rA:23nCCCCCCCCCCCCCCCCCNCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s16;s14;s11;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9317 |
Area: | 513.202 |
Solvation: | -1.89832 |
Coulombic: | -35.3227 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 305.37 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.33 |
LogP (Chemaxon): | 5.53 |
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 |
---|