Molecule

ID:134307

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀O₂
Molecular Mass
242.3975
Exact Mass
242.2245802
Charge
0
InChI
InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKey
XKLJLHAPJBUBNL-UHFFFAOYSA-N
Canonic Smiles
CCC(CCCCCCCCCCC(=O)O)C
Isomeric Smiles
CCC(C)CCCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
3.24
LogD (pH = 5.5)
5.00
Log P
5.65
Rotatable Bonds
12
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
31.79
Molar Refractivity
72.43
LOG S
-6.08
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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