Molecule

ID:88872

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₄
Molecular Mass
160.16778
Exact Mass
160.07355886
Charge
0
InChI
InChI=1S/C7H12O4/c1-3-11-7(9)4-6(8)5-10-2/h3-5H2,1-2H3
InChIKey
CMKOJBYFNYDATH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)COC
Isomeric Smiles
O(CC)C(=O)CC(=O)COC
Calculated Properties
JChem
Acid pKa
9.934229
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.5604061
LogD (pH = 7.4)
0.55915546
Log P
0.3270887
Molar Refractivity
38.51
Polarizability
15.247779
Polar Surface Area
52.6
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
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References
Bioactivity
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