Molecule

ID:112097

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈O₄
Molecular Mass
272.38042
Exact Mass
272.19875938
Charge
0
InChI
InChI=1S/C15H28O4/c1-18-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)19-2/h3-13H2,1-2H3
InChIKey
WWSBQOYADFGDQE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCCCCCC(=O)OC
Isomeric Smiles
COC(=O)CCCCCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8944232
LogD (pH = 7.4)
3.8944232
Log P
3.8944232
Molar Refractivity
74.4842
Polarizability
29.894516
Polar Surface Area
52.6
Rotatable Bonds
14
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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