Molecule

ID:75107

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O₆
Molecular Mass
250.28878
Exact Mass
250.14163842
Charge
0
InChI
InChI=1S/C11H22O6/c12-9-11-10-16-6-5-14-2-1-13-3-4-15-7-8-17-11/h11-12H,1-10H2
InChIKey
YHIQMMGCRYKJLB-UHFFFAOYSA-N
Canonic Smiles
OCC1COCCOCCOCCOCCO1
Isomeric Smiles
O1CCOC(COCCOCCOCC1)CO
Calculated Properties
JChem
Acid pKa
14.602924
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.8652125
LogD (pH = 7.4)
-0.8652125
Log P
-0.8652125
Molar Refractivity
61.18
Polarizability
24.4665
Polar Surface Area
66.38
Rotatable Bonds
1
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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