Molecule

ID:104643

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₄
Molecular Mass
230.30068
Exact Mass
230.15180918
Charge
0
InChI
InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3
InChIKey
PEUGOJXLBSIJQS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCCCCC(=O)OCC
Isomeric Smiles
CCOC(=O)CCCCCCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3851957
LogD (pH = 7.4)
2.3851957
Log P
2.3851957
Molar Refractivity
60.9764
Polarizability
24.38656
Polar Surface Area
52.6
Rotatable Bonds
11
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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