Molecule

ID:90477

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h5,7H,1-4H2
InChIKey
BXBJZYXQHHPVGO-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(=O)CC1
Isomeric Smiles
O=C1CCC(CC1)O
Calculated Properties
JChem
Acid pKa
15.227164
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.10147574
LogD (pH = 7.4)
0.10147573
Log P
0.10147574
Molar Refractivity
29.9169
Polarizability
11.765034
Polar Surface Area
37.3
Rotatable Bonds
0
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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