Molecule

ID:110586

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆O
Molecular Mass
198.34494
Exact Mass
198.19836545
Charge
0
InChI
InChI=1S/C13H26O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
ULIAPOFMBCCSPE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(=O)CCCCCC
Isomeric Smiles
CCCCCCC(=O)CCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.063901
LogD (pH = 7.4)
5.063901
Log P
5.063901
Molar Refractivity
62.2566
Polarizability
24.77089
Polar Surface Area
17.07
Rotatable Bonds
10
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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