Molecule

ID:112152

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆O
Molecular Mass
198.34494
Exact Mass
198.19836545
Charge
0
InChI
InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
InChIKey
BGEHHAVMRVXCGR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC=O
Isomeric Smiles
CCCCCCCCCCCCC=O
Calculated Properties
JChem
LogD (pH = 7.4)
4.76
LogD (pH = 5.5)
4.76
Log P
4.76
Rotatable Bonds
11
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.93
Polar Surface Area
17.07
Polarizability
27.02
Molar Refractivity
62.36
LOG S
-4.95
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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