Molecule

ID:71655

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-3-8-5-6(2)4-7/h4-5H,3H2,1-2H3/b6-5-
InChIKey
KDOAHVPFGIYCEU-WAYWQWQTSA-N
Canonic Smiles
C/C(=C/OCC)/C=O
Isomeric Smiles
C(O/C=C(\C=O)/C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6491044
LogD (pH = 7.4)
0.6491044
Log P
0.6491044
Molar Refractivity
32.2006
Polarizability
12.307829
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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