Molecule

ID:53051

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/h5-6,17H,2-4,7-16H2,1H3/b6-5-
InChIKey
RHVMNRHQWXIJIS-WAYWQWQTSA-N
Canonic Smiles
CCCC/C=C\CCCCCCCCCCO
Isomeric Smiles
C(CCCCCCCCC/C=C\CCCC)O
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.7782245
LogD (pH = 7.4)
5.7782245
Log P
5.7782245
Molar Refractivity
78.4635
Polarizability
30.628027
Polar Surface Area
20.23
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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