Molecule

ID:110621

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₂
Molecular Mass
200.31776
Exact Mass
200.17763001
Charge
0
InChI
InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3
InChIKey
PSXNDMJWRZYVTM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)OCCCC
Isomeric Smiles
CCCCCCCC(=O)OCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
4.17
LogD (pH = 5.5)
4.17
Log P
4.17
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
25.65
Molar Refractivity
58.92
LOG S
-3.98
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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