Molecule
ID:105687
General Information
Molecular Formula
C₁₆H₂₈O
Molecular Mass
236.39292
Exact Mass
236.21401552
Charge
0
InChI
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15-17-16/h12,14-15H,2-11,13H2,1H3
InChIKey
YCHOIEWPPPNUFM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCc1ccco1
Isomeric Smiles
CCCCCCCCCCCCc1ccco1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.281262
LogD (pH = 7.4)
6.281262
Log P
6.281262
Molar Refractivity
74.2551
Polarizability
29.246017
Polar Surface Area
13.14
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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