Molecule

ID:136396

General Information
Structure
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-2-3-6(7)4-8-5-6/h2,7H,1,3-5H2
InChIKey
YSSORDAPEBFRKL-UHFFFAOYSA-N
Canonic Smiles
C=CCC1(O)COC1
Isomeric Smiles
C=CCC1(COC1)O
Calculated Properties
JChem
Acid pKa
13.43232
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26636928
LogD (pH = 7.4)
0.2663689
Log P
0.26636928
Molar Refractivity
30.8133
Polarizability
12.130255
Polar Surface Area
29.46
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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