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Chemical ID: 6291335
Chemical ID:
6291335
Name [?]:
1-(8-hydroxy-5-quinolyl)ethanone
SMILES [?]:
CC(=O)c1ccc(c2c1cccn2)O
InChi [?]:
InChI=1/C11H9NO2/c1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11/h2-6,14H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,5,6,12,2,4,9,7,8,13,3,14/rA:14nCCOCCCCCCCCCNO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.35361 |
Area: | 343.306 |
Solvation: | -3.22903 |
Coulombic: | -28.5404 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 187.195 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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