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Chemical ID: 5064555
Chemical ID:
5064555
Name [?]:
1-(6-methoxy-4-quinolyl)ethanone
SMILES [?]:
CC(=O)c1ccnc2c1cc(cc2)OC
InChi [?]:
InChI=1/C12H11NO2/c1-8(14)10-5-6-13-12-4-3-9(15-2)7-11(10)12/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,12,13,5,6,10,2,11,4,9,8,7,3,14/rA:15nCCOCCCNCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s11;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.38038 |
Area: | 363.177 |
Solvation: | -3.69905 |
Coulombic: | -18.9103 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.221 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.88 |
LogP (Chemaxon): | 1.19 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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