Molecule
ID:121813
General Information
Molecular Formula
C₁₀H₁₆O₅
Molecular Mass
216.23104
Exact Mass
216.09977361
Charge
0
InChI
InChI=1S/C10H16O5/c1-3-15-9(12)10(8(11)13-2)4-6-14-7-5-10/h3-7H2,1-2H3
InChIKey
LYPPWDCYVXXXBJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCOCC1)C(=O)OC
Isomeric Smiles
C1(C(=O)OC)(C(=O)OCC)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.593963
LogD (pH = 7.4)
0.593963
Log P
0.593963
Molar Refractivity
51.8994
Polarizability
20.755764
Polar Surface Area
61.83
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
No Data Available
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Related Proteins
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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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