Molecule

ID:3062

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O
Molecular Mass
240.42468
Exact Mass
240.24531564
Charge
0
InChI
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
InChIKey
NIOYUNMRJMEDGI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC=O
Isomeric Smiles
CCCCCCCCCCCCCCCC=O
Calculated Properties
JChem
LogD (pH = 7.4)
6.10
LogD (pH = 5.5)
6.10
Log P
6.10
Rotatable Bonds
14
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
17.93
Polar Surface Area
17.07
Polarizability
33.39
Molar Refractivity
76.16
LOG S
-6.50
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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