Molecule

ID:109683

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3
InChIKey
ZFDIRQKJPRINOQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C/C
Isomeric Smiles
CCOC(=O)/C=C/C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6556176
LogD (pH = 7.4)
1.6556176
Log P
1.6556176
Molar Refractivity
32.4826
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
References
Bioactivity
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