Molecule

ID:108378

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₄
Molecular Mass
230.30068
Exact Mass
230.15180918
Charge
0
InChI
InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3
InChIKey
YUXIBTJKHLUKBD-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)CCC(=O)OCCCC
Isomeric Smiles
CCCCOC(=O)CCC(=O)OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5411031
LogD (pH = 7.4)
2.5411031
Log P
2.5411031
Molar Refractivity
60.8224
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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