Molecule

ID:2309

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆O₆
Molecular Mass
266.33124
Exact Mass
266.17293855
Charge
0
InChI
InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3
InChIKey
DMDPGPKXQDIQQG-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOCCOCCOCCOC
Isomeric Smiles
COCCOCCOCCOCCOCCOC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.11
LogD (pH = 5.5)
-0.11
Log P
-0.11
Rotatable Bonds
15
H Donor
0
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
-3.36
Polar Surface Area
55.38
Polarizability
31.57
Molar Refractivity
68.23
LOG S
0.30
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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