Structure Database (LMSD)
Common Name
Fenchone
Systematic Name
Synonyms
3D model of Fenchone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
LHXDLQBQYFFVNW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
SMILES (Click to copy)
C12(C(=O)C(C)(C)C(CC1)C2)C
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
162.99
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.40
Molar Refractivity
44.24
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Created at
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Updated at
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