Molecule

ID:111784

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆O₄
Molecular Mass
258.35384
Exact Mass
258.18310931
Charge
0
InChI
InChI=1S/C14H26O4/c1-5-9-10-11-14(6-2,12(15)17-7-3)13(16)18-8-4/h5-11H2,1-4H3
InChIKey
MACVCMUXFXTPRW-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(C(=O)OCC)(C(=O)OCC)CC
Isomeric Smiles
CCCCCC(CC)(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9961307
LogD (pH = 7.4)
3.9961307
Log P
3.9961307
Molar Refractivity
70.1037
Polarizability
28.057285
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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