Molecule

ID:110556

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O₂
Molecular Mass
256.42408
Exact Mass
256.24023026
Charge
0
InChI
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15(2)3/h15H,4-14H2,1-3H3
InChIKey
SZFOMJOELAAHAF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)OCC(C)C
Isomeric Smiles
CCCCCCCCCCCC(=O)OCC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.8685055
LogD (pH = 7.4)
5.8685055
Log P
5.8685055
Molar Refractivity
77.1929
Polarizability
30.972935
Polar Surface Area
26.3
Rotatable Bonds
13
Lipinski's Rule of Five
false
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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