Molecule

ID:4995

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆O₆
Molecular Mass
266.33124
Exact Mass
266.17293855
Charge
0
InChI
InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3
InChIKey
NJRFAMBTWHGSDE-UHFFFAOYSA-N
Canonic Smiles
OCCOCCOCCOCCOCCOCC
Isomeric Smiles
CCOCCOCCOCCOCCOCCO
Calculated Properties
JChem
Acid pKa
15.121156
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.39664665
LogD (pH = 7.4)
-0.39664668
Log P
-0.39664665
Molar Refractivity
68.2274
Polarizability
26.99884
Polar Surface Area
66.38
Rotatable Bonds
15
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.01
LOG S
-2.05
Solubility (Water)
2.40e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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