Molecule

ID:65917

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂O₅
Molecular Mass
188.17788
Exact Mass
188.06847348
Charge
0
InChI
InChI=1S/C8H12O5/c1-3-11-7(9)5-6(13-5)8(10)12-4-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey
LDFQMMUIJQDSAB-WDSKDSINSA-N
Canonic Smiles
CCOC(=O)[C@H]1O[C@@H]1C(=O)OCC
Isomeric Smiles
[C@H]1([C@H](O1)C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.3383077
LogD (pH = 7.4)
0.3383077
Log P
0.3383077
Molar Refractivity
41.7387
Polarizability
17.123043
Polar Surface Area
61.83
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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