Molecule

ID:107366

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2
InChIKey
ZHHZHHSFKCANOC-UHFFFAOYSA-N
Canonic Smiles
C=CCOC=O
Isomeric Smiles
C=CCOC=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.60509944
LogD (pH = 7.4)
0.60509944
Log P
0.60509944
Molar Refractivity
22.085
Polarizability
8.640089
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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