Molecule

ID:111762

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₈O₄
Molecular Mass
330.50262
Exact Mass
330.2770097
Charge
0
InChI
InChI=1S/C19H38O4/c1-3-4-5-8-11-14-17(20)18(21)15-12-9-6-7-10-13-16-19(22)23-2/h17-18,20-21H,3-16H2,1-2H3
InChIKey
DXLUZOBGEVOOMF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(C(CCCCCCCCC(=O)OC)O)O
Isomeric Smiles
CCCCCCCC(O)C(O)CCCCCCCCC(=O)OC
Calculated Properties
JChem
Acid pKa
13.909717
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.829992
LogD (pH = 7.4)
4.829992
Log P
4.829992
Molar Refractivity
94.0857
Polarizability
37.725845
Polar Surface Area
66.76
Rotatable Bonds
17
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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