Molecule

ID:63187

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c7-5-6-1-3-8-4-2-6/h5-6H,1-4H2
InChIKey
CXLGNJCMPWUZKM-UHFFFAOYSA-N
Canonic Smiles
O=CC1CCOCC1
Isomeric Smiles
C1(CCOCC1)C=O
Calculated Properties
JChem
Acid pKa
15.673895
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.03904383
LogD (pH = 7.4)
0.039043825
Log P
0.03904383
Molar Refractivity
30.469
Polarizability
11.834835
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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