Molecule

ID:2071

General Information
Structure
Molecular Formula
C₆H₁₄O₄
Molecular Mass
150.17296
Exact Mass
150.08920893
Charge
0
InChI
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChIKey
ZIBGPFATKBEMQZ-UHFFFAOYSA-N
Canonic Smiles
OCCOCCOCCO
Isomeric Smiles
OCCOCCOCCO
Calculated Properties
JChem
LogD (pH = 7.4)
-1.30
LogD (pH = 5.5)
-1.30
Log P
-1.30
Rotatable Bonds
7
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
14.82
Polar Surface Area
58.92
Polarizability
16.45
Molar Refractivity
36.64
LOG S
0.86
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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