Molecule

ID:110942

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₂O
Molecular Mass
228.41398
Exact Mass
228.24531564
Charge
0
InChI
InChI=1S/C15H32O/c1-3-5-7-8-9-10-11-12-14-15(16)13-6-4-2/h15-16H,3-14H2,1-2H3
InChIKey
MEHHKSPCNQCVCK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC(CCCC)O
Isomeric Smiles
CCCCCCCCCCC(O)CCCC
Calculated Properties
JChem
Acid pKa
18.484179
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.7455373
LogD (pH = 7.4)
5.7455373
Log P
5.7455373
Molar Refractivity
72.4867
Polarizability
29.014809
Polar Surface Area
20.23
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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