Molecule

ID:78367

General Information
Structure
Molecular Formula
C₁₁H₂₂O
Molecular Mass
170.29178
Exact Mass
170.16706532
Charge
0
InChI
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2
InChIKey
GIEMHYCMBGELGY-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCC=C
Isomeric Smiles
OCCCCCCCCCC=C
Calculated Properties
JChem
LogD (pH = 7.4)
3.61
LogD (pH = 5.5)
3.61
Log P
3.61
Rotatable Bonds
9
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.99
Polar Surface Area
20.23
Polarizability
22.96
Molar Refractivity
54.39
LOG S
-3.67
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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