Molecule

ID:109464

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈O₂
Molecular Mass
252.39232
Exact Mass
252.20893014
Charge
0
InChI
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(14)18-16/h14-15H,1-13H2
InChIKey
CBDACFVQPFMYLZ-UHFFFAOYSA-N
Canonic Smiles
O=C1OC2C1CCCCCCCCCCCCC2
Isomeric Smiles
O=C1OC2CCCCCCCCCCCCCC12
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.3249345
LogD (pH = 7.4)
5.3249345
Log P
5.3249345
Molar Refractivity
73.2782
Polarizability
29.506357
Polar Surface Area
26.3
Rotatable Bonds
0
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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