Molecule

ID:112566

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₈O₃
Molecular Mass
338.52462
Exact Mass
338.28209508
Charge
0
InChI
InChI=1S/C21H38O3/c1-3-5-6-12-15-19-20(24-19)16-13-10-8-7-9-11-14-17-21(22)23-18-4-2/h4,19-20H,2-3,5-18H2,1H3
InChIKey
FHPYFLUXCKJVCX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC1OC1CCCCCCCCCC(=O)OCC=C
Isomeric Smiles
CCCCCCC1OC1CCCCCCCCCC(=O)OCC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.722945
LogD (pH = 7.4)
6.722945
Log P
6.722945
Molar Refractivity
99.7383
Polarizability
39.898647
Polar Surface Area
38.83
Rotatable Bonds
18
Lipinski's Rule of Five
false
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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