Molecule

ID:134717

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈O
Molecular Mass
131.22057484
Exact Mass
131.13912003
Charge
0
InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3/i8+1
InChIKey
KBPLFHHGFOOTCA-VJJZLTLGSA-N
Canonic Smiles
CCCCCCC[13CH2]O
Isomeric Smiles
CCCCCCC[13CH2]O
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5835967
LogD (pH = 7.4)
2.5835967
Log P
2.5835967
Molar Refractivity
40.5389
Polarizability
16.091919
Polar Surface Area
20.23
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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