Molecule

ID:103093

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₂
Molecular Mass
200.31776
Exact Mass
200.17763001
Charge
0
InChI
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChIKey
RGXWDWUGBIJHDO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC(=O)OCC
Isomeric Smiles
CCCCCCCCCC(=O)OCC
Calculated Properties
JChem
LogD (pH = 7.4)
4.09
LogD (pH = 5.5)
4.09
Log P
4.09
Rotatable Bonds
10
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
25.71
Molar Refractivity
59.00
LOG S
-4.10
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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