Molecule

ID:130917

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈O₅
Molecular Mass
288.37982
Exact Mass
288.193674
Charge
0
InChI
InChI=1S/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3
InChIKey
DRUFTGMQJWWIOL-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)OCC(OC(=O)CCCCC)CO
Isomeric Smiles
CCCCCC(=O)OCC(CO)OC(=O)CCCCC
Calculated Properties
JChem
Acid pKa
14.577784
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1117206
LogD (pH = 7.4)
3.1117206
Log P
3.1117206
Molar Refractivity
75.6789
Polarizability
30.53954
Polar Surface Area
72.83
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
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References
Bioactivity
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