Molecule

ID:106993

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₅
Molecular Mass
166.17236
Exact Mass
166.08412355
Charge
0
InChI
InChI=1S/C6H14O5/c7-1-5(9)3-11-4-6(10)2-8/h5-10H,1-4H2
InChIKey
GPLRAVKSCUXZTP-UHFFFAOYSA-N
Canonic Smiles
OCC(COCC(CO)O)O
Isomeric Smiles
OCC(O)COCC(O)CO
Calculated Properties
JChem
Acid pKa
13.340334
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.5163245
LogD (pH = 7.4)
-2.516325
Log P
-2.5163245
Molar Refractivity
37.5221
Polarizability
15.129
Polar Surface Area
90.15
Rotatable Bonds
6
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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