Molecule

ID:107766

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₄
Molecular Mass
228.2848
Exact Mass
228.13615912
Charge
0
InChI
InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3
InChIKey
JBSLOWBPDRZSMB-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)/C=C/C(=O)OCCCC
Isomeric Smiles
CCCCOC(=O)/C=C/C(=O)OCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3653386
LogD (pH = 7.4)
3.3653386
Log P
3.3653386
Molar Refractivity
61.8924
Polarizability
24.140347
Polar Surface Area
52.6
Rotatable Bonds
10
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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