Molecule

ID:91049

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₅BrO₂
Molecular Mass
363.3733
Exact Mass
362.18204236
Charge
0
InChI
InChI=1S/C18H35BrO2/c1-21-18(20)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19/h2-17H2,1H3
InChIKey
XSHXLJQWLPXKRC-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCCCCCCCCCCCC(=O)OC
Isomeric Smiles
BrCCCCCCCCCCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.950454
LogD (pH = 7.4)
6.950454
Log P
6.950454
Molar Refractivity
94.4169
Polarizability
37.24233
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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