Molecule

ID:131329

General Information
Structure
MolImage
Molecular Formula
C₁₉H₄₀O₃
Molecular Mass
316.5191
Exact Mass
316.29774514
Charge
0
InChI
InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3
InChIKey
OOWQBDFWEXAXPB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOCC(CO)O
Isomeric Smiles
CCCCCCCCCCCCCCCCOCC(CO)O
Calculated Properties
JChem
LogD (pH = 7.4)
5.46
LogD (pH = 5.5)
5.46
Log P
5.46
Rotatable Bonds
18
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
13.64
Polar Surface Area
49.69
Polarizability
42.76
Molar Refractivity
94.35
LOG S
-6.61
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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