Molecule

ID:133488

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂O₄
Molecular Mass
218.28998
Exact Mass
218.15180918
Charge
0
InChI
InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3
InChIKey
GHBFNMLVSPCDGN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)OCC(CO)O
Isomeric Smiles
CCCCCCCC(=O)OCC(CO)O
Calculated Properties
JChem
LogD (pH = 7.4)
1.53
LogD (pH = 5.5)
1.53
Log P
1.53
Rotatable Bonds
10
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
13.62
Polar Surface Area
66.76
Polarizability
25.36
Molar Refractivity
57.30
LOG S
-2.52
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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