Molecule

ID:109593

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆O₂
Molecular Mass
202.33364
Exact Mass
202.19328007
Charge
0
InChI
InChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
InChIKey
GHLKSLMMWAKNBM-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCCCCCO
Isomeric Smiles
OCCCCCCCCCCCCO
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9251926
LogD (pH = 7.4)
2.9251926
Log P
2.9251926
Molar Refractivity
60.8716
Polarizability
24.070908
Polar Surface Area
40.46
Rotatable Bonds
11
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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