Molecule
ID:60400
General Information
Molecular Formula
C₇H₁₄O₄
Molecular Mass
162.18366
Exact Mass
162.08920893
Charge
0
InChI
InChI=1S/C7H14O4/c1-5(6(8)9-2)7(10-3)11-4/h5,7H,1-4H3
InChIKey
CBFKVFFWFXUWDK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(OC)OC)C
Isomeric Smiles
C(C(=O)OC)(C(OC)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8073284
LogD (pH = 7.4)
0.8073284
Log P
0.8073284
Molar Refractivity
38.9212
Polarizability
15.850831
Polar Surface Area
44.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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