Molecule

ID:58397

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₄
Molecular Mass
162.18366
Exact Mass
162.08920893
Charge
0
InChI
InChI=1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3
InChIKey
IRUNKQSGDBYUDC-UHFFFAOYSA-N
Canonic Smiles
CCOC(OC(=O)C)OCC
Isomeric Smiles
C(OC(=O)C)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2550564
LogD (pH = 7.4)
1.2550564
Log P
1.2550564
Molar Refractivity
39.2359
Polarizability
15.850831
Polar Surface Area
44.76
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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