Molecule

ID:112796

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₄
Molecular Mass
160.16778
Exact Mass
160.07355886
Charge
0
InChI
InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
InChIKey
MLHOXUWWKVQEJB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC(OC(=O)C)C
Isomeric Smiles
CC(COC(=O)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.090146765
LogD (pH = 7.4)
0.090146765
Log P
0.090146765
Molar Refractivity
37.2754
Polarizability
15.247779
Polar Surface Area
52.6
Rotatable Bonds
5
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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