Molecule

ID:107484

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₂O₄
Molecular Mass
288.42288
Exact Mass
288.2300595
Charge
0
InChI
InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-16(18)20-15-14-19-13-12-17/h17H,2-15H2,1H3
InChIKey
WGIMXKDCVCTHGW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)OCCOCCO
Isomeric Smiles
CCCCCCCCCCCC(=O)OCCOCCO
Calculated Properties
JChem
Acid pKa
15.121155
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8871245
LogD (pH = 7.4)
3.8871245
Log P
3.8871245
Molar Refractivity
80.7845
Polarizability
32.277714
Polar Surface Area
55.76
Rotatable Bonds
16
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
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Molecule Details
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References
Bioactivity
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