Molecule

ID:78374

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
InChIKey
JBDSSBMEKXHSJF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCC1
Isomeric Smiles
OC(=O)C1CCCC1
Calculated Properties
JChem
Acid pKa
4.722388
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6017201
LogD (pH = 7.4)
-1.1757828
Log P
1.4455879
Molar Refractivity
29.2449
Polarizability
11.591434
Polar Surface Area
37.3
Rotatable Bonds
1
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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