Molecule

ID:91144

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3
InChIKey
MBAHGFJTIVZLFB-UHFFFAOYSA-N
Canonic Smiles
CC/C=C/C(=O)OC
Isomeric Smiles
O(C(=O)/C=C/CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7433784
LogD (pH = 7.4)
1.7433784
Log P
1.7433784
Molar Refractivity
32.335
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
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Molecule Details
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References
Bioactivity
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