Molecule

ID:110989

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O₂
Molecular Mass
200.31776
Exact Mass
200.17763001
Charge
0
InChI
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKey
PWLNAUNEAKQYLH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOC(=O)CCC
Isomeric Smiles
CCCCCCCCOC(=O)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1698265
LogD (pH = 7.4)
4.1698265
Log P
4.1698265
Molar Refractivity
58.9183
Polarizability
23.596272
Polar Surface Area
26.3
Rotatable Bonds
10
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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