Molecule

ID:59411

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂
Molecular Mass
114.1424
Exact Mass
114.06807956
Charge
0
InChI
InChI=1S/C6H10O2/c1-8-6(7)5-3-2-4-5/h5H,2-4H2,1H3
InChIKey
CBTGNLZUIZHUHY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCC1
Isomeric Smiles
C(=O)(C1CCC1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1469132
LogD (pH = 7.4)
1.1469132
Log P
1.1469132
Molar Refractivity
29.413
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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