Molecule

ID:86044

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₅
Molecular Mass
212.19928
Exact Mass
212.06847348
Charge
0
InChI
InChI=1S/C10H12O5/c1-3-13-10(12)9-5-4-8(15-9)6-14-7(2)11/h4-5H,3,6H2,1-2H3
InChIKey
CLVLJVLDCHNKOH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(o1)COC(=O)C
Isomeric Smiles
o1c(ccc1COC(=O)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.98755413
LogD (pH = 7.4)
0.98755413
Log P
0.98755413
Molar Refractivity
51.0677
Polarizability
19.869406
Polar Surface Area
65.74
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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