Molecule

ID:91050

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₃BrO₂
Molecular Mass
349.34672
Exact Mass
348.1663923
Charge
0
InChI
InChI=1S/C17H33BrO2/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h2-16H2,1H3
InChIKey
ZYTQDEJMRYPSHE-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCCCCCCCCCCC(=O)OC
Isomeric Smiles
O(C(=O)CCCCCCCCCCCCCCCBr)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.505885
LogD (pH = 7.4)
6.505885
Log P
6.505885
Molar Refractivity
89.8159
Polarizability
35.410255
Polar Surface Area
26.3
Rotatable Bonds
16
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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