Molecule

ID:133888

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₈O₂
Molecular Mass
322.52522
Exact Mass
322.28718046
Charge
0
InChI
InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11H,3-6,9,12-20H2,1-2H3/b8-7+,11-10+
InChIKey
GWJCFAOQCNNFAM-ZDVGBALWSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OC
Isomeric Smiles
CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.456908
LogD (pH = 7.4)
7.456908
Log P
7.456908
Molar Refractivity
102.4899
Polarizability
39.72817
Polar Surface Area
26.3
Rotatable Bonds
17
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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