Molecule

ID:109708

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₄
Molecular Mass
188.22094
Exact Mass
188.10485899
Charge
0
InChI
InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
InChIKey
SHWINQXIGSEZAP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCC(=O)OC
Isomeric Smiles
COC(=O)CCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2270111
LogD (pH = 7.4)
1.2270111
Log P
1.2270111
Molar Refractivity
46.8782
Polarizability
18.894217
Polar Surface Area
52.6
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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