Molecule

ID:104483

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀O₂
Molecular Mass
242.3975
Exact Mass
242.2245802
Charge
0
InChI
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKey
WQEPLUUGTLDZJY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCC(=O)O
Isomeric Smiles
CCCCCCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.40
LogD (pH = 5.5)
5.16
Log P
5.81
Rotatable Bonds
13
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
32.22
Molar Refractivity
72.48
LOG S
-6.15
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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