Molecule

ID:136367

General Information
Structure
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-5(7)2-6-3-8-4-6/h6H,2-4H2,1H3
InChIKey
BDJGRLUDPHSZMT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CC1COC1
Isomeric Smiles
CC(=O)CC1COC1
Calculated Properties
JChem
Acid pKa
18.239565
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.053739786
LogD (pH = 7.4)
-0.053739786
Log P
-0.053739786
Molar Refractivity
30.1428
Polarizability
11.834835
Polar Surface Area
26.3
Rotatable Bonds
2
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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