Molecule

ID:110623

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O₄
Molecular Mass
216.2741
Exact Mass
216.13615912
Charge
0
InChI
InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3
InChIKey
NORZZKKLCYMBBF-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)C(OC(=O)CCC)C
Isomeric Smiles
CCCCOC(=O)C(C)OC(=O)CCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.58
LogD (pH = 5.5)
2.58
Log P
2.58
Rotatable Bonds
9
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-6.90
Polar Surface Area
52.60
Polarizability
24.07
Molar Refractivity
55.86
LOG S
-2.57
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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