Molecule
ID:79946
General Information
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c7-5-3-4-1-2-6(5)8-4/h4-7H,1-3H2
InChIKey
DXJWCIYSWHNWHQ-UHFFFAOYSA-N
Canonic Smiles
OC1CC2OC1CC2
Isomeric Smiles
O1C2C(O)CC1CC2
Calculated Properties
JChem
Acid pKa
14.115877
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.0920191
LogD (pH = 7.4)
-0.092019185
Log P
-0.0920191
Molar Refractivity
28.7528
Polarizability
11.660719
Polar Surface Area
29.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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