Molecule

ID:65158

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-7-6-2-4-8-5-3-6/h2H,3-5H2,1H3
InChIKey
FSMHNRHLQAABPS-UHFFFAOYSA-N
Canonic Smiles
COC1=CCOCC1
Isomeric Smiles
C1COCC=C1OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.017819606
LogD (pH = 7.4)
-0.017819606
Log P
-0.017819606
Molar Refractivity
32.871
Polarizability
12.201129
Polar Surface Area
18.46
Rotatable Bonds
1
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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