Molecule

ID:4549

General Information
Structure
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Molecular Formula
C₁₂H₂₆O
Molecular Mass
186.33424
Exact Mass
186.19836545
Charge
0
InChI
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey
LQZZUXJYWNFBMV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCO
Isomeric Smiles
OCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
4.36
LogD (pH = 5.5)
4.36
Log P
4.36
Rotatable Bonds
10
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.99
Polar Surface Area
20.23
Polarizability
25.86
Molar Refractivity
58.94
LOG S
-4.51
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
No Data Available
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Molecule Details
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References
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Bioactivity
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