Molecule

ID:75142

General Information
Structure
Molecular Formula
C₁₄H₃₀O₂
Molecular Mass
230.3868
Exact Mass
230.2245802
Charge
0
InChI
InChI=1S/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2
InChIKey
XLKZJJVNBQCVIX-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCCCCCCO
Isomeric Smiles
OCCCCCCCCCCCCCCO
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.8143299
LogD (pH = 7.4)
3.8143299
Log P
3.8143299
Molar Refractivity
70.0736
Polarizability
27.75881
Polar Surface Area
40.46
Rotatable Bonds
13
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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