ChemDB: Chemical Search
Download
Chemical ID: 6508104
Chemical ID:
6508104
Name [?]:
1-(8-hydroxy-5-quinolyl)hexan-1-one
SMILES [?]:
CCCCCC(=O)c1ccc(c2c1cccn2)O
InChi [?]:
InChI=1/C15H17NO2/c1-2-3-4-7-13(17)11-8-9-14(18)15-12(11)6-5-10-16-15/h5-6,8-10,18H,2-4,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,15,14,5,9,10,16,8,13,6,11,12,17,7,18/rA:18nCCCCCCOCCCCCCCCCNO/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d14;s15;s12d16;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.01753 |
Area: | 447.422 |
Solvation: | -3.16803 |
Coulombic: | -30.0676 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 243.301 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.52 |
LogP (Chemaxon): | 2.98 |
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 |
---|