Molecule

ID:108857

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₄
Molecular Mass
174.19436
Exact Mass
174.08920893
Charge
0
InChI
InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
InChIKey
DKMROQRQHGEIOW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCC(=O)OCC
Isomeric Smiles
CCOC(=O)CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6069211
LogD (pH = 7.4)
0.6069211
Log P
0.6069211
Molar Refractivity
42.5724
Polarizability
17.06897
Polar Surface Area
52.6
Rotatable Bonds
7
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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