Molecule

ID:53052

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀O
Molecular Mass
238.4088
Exact Mass
238.22966558
Charge
0
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-
InChIKey
AMTITFMUKRZZEE-WAYWQWQTSA-N
Canonic Smiles
CCCC/C=C\CCCCCCCCCC=O
Isomeric Smiles
C(=O)CCCCCCCCC/C=C\CCCC
Calculated Properties
JChem
LogD (pH = 7.4)
5.74
LogD (pH = 5.5)
5.74
Log P
5.74
Rotatable Bonds
13
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
17.93
Polar Surface Area
17.07
Polarizability
31.96
Molar Refractivity
77.27
LOG S
-6.25
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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