Molecule

ID:69011

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆O₄
Molecular Mass
164.19954
Exact Mass
164.10485899
Charge
0
InChI
InChI=1S/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3
InChIKey
JPOUJDLGAPEXAN-UHFFFAOYSA-N
Canonic Smiles
COCCOCC(OC)OC
Isomeric Smiles
C(COCCOC)(OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.309501
LogD (pH = 7.4)
0.309501
Log P
0.309501
Molar Refractivity
40.8806
Polarizability
16.45576
Polar Surface Area
36.92
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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