Molecule

ID:111155

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈O
Molecular Mass
200.36082
Exact Mass
200.21401552
Charge
0
InChI
InChI=1S/C13H28O/c1-3-5-7-8-9-10-12-13(14)11-6-4-2/h13-14H,3-12H2,1-2H3
InChIKey
GRDYSMCYPTWIPT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(CCCC)O
Isomeric Smiles
CCCCCCCCC(O)CCCC
Calculated Properties
JChem
Acid pKa
18.484179
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.8564
LogD (pH = 7.4)
4.8564
Log P
4.8564
Molar Refractivity
63.2847
Polarizability
25.321913
Polar Surface Area
20.23
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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