Molecule

ID:53634

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₅
Molecular Mass
216.23104
Exact Mass
216.09977361
Charge
0
InChI
InChI=1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
InChIKey
DVSDDICSXBCMQJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C(=O)OCC)C(=O)C
Isomeric Smiles
C(C(=O)OCC)(C(=O)C)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
12.174412
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9045587
LogD (pH = 7.4)
0.90455157
Log P
0.6712254
Molar Refractivity
52.4152
Polarizability
20.857409
Polar Surface Area
69.67
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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