Molecule

ID:55939

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c7-6(8)4-5-2-1-3-5/h5H,1-4H2,(H,7,8)
InChIKey
FQRMJJJRCOMBKG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCC1
Isomeric Smiles
C(=O)(CC1CCC1)O
Calculated Properties
JChem
Acid pKa
4.7671323
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.38373393
LogD (pH = 7.4)
-1.3923788
Log P
1.1896206
Molar Refractivity
29.219
Polarizability
11.591434
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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