Molecule

ID:107345

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀O₂
Molecular Mass
254.4082
Exact Mass
254.2245802
Charge
0
InChI
InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-14H2,1,3H3
InChIKey
GMSCBRSQMRDRCD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOC(=O)C(=C)C
Isomeric Smiles
CCCCCCCCCCCCOC(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.1881733
LogD (pH = 7.4)
6.1881733
Log P
6.1881733
Molar Refractivity
77.0992
Polarizability
30.735579
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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