Molecule

ID:40467

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₅
Molecular Mass
186.162
Exact Mass
186.05282342
Charge
0
InChI
InChI=1S/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H3
InChIKey
DVLSQHLXPRYYRC-UHFFFAOYSA-N
Canonic Smiles
COC=C1C(=O)OC(OC1=O)(C)C
Isomeric Smiles
C1(=COC)C(=O)OC(OC1=O)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8172317
LogD (pH = 7.4)
0.8172317
Log P
0.8172317
Molar Refractivity
42.3374
Polarizability
16.869751
Polar Surface Area
61.83
Rotatable Bonds
1
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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