Molecule

ID:135652

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂O₂
Molecular Mass
174.28048
Exact Mass
174.16197994
Charge
0
InChI
InChI=1S/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3
InChIKey
BZOOCKAFKVYAOZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(OC)OC
Isomeric Smiles
CCCCCCCC(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2769241
LogD (pH = 7.4)
3.2769241
Log P
3.2769241
Molar Refractivity
51.1816
Polarizability
20.531233
Polar Surface Area
18.46
Rotatable Bonds
8
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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