Molecule

ID:109103

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀O
Molecular Mass
226.3981
Exact Mass
226.22966558
Charge
0
InChI
InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-14H2,1-2H3
InChIKey
YELXTWKVTZTDCM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC(=O)CC
Isomeric Smiles
CCCCCCCCCCCCC(=O)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.953038
LogD (pH = 7.4)
5.953038
Log P
5.953038
Molar Refractivity
71.4586
Polarizability
28.463512
Polar Surface Area
17.07
Rotatable Bonds
12
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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