Molecule

ID:109264

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈BrNO₂
Molecular Mass
240.13802
Exact Mass
239.05209082
Charge
0
InChI
InChI=1S/C8H18NO2.BrH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1
InChIKey
MMVPLEUBMWUYIB-UHFFFAOYSA-M
Canonic Smiles
CC(C[N+](C)(C)C)OC(=O)C.[Br-]
Isomeric Smiles
[Br-].CC(C[N+](C)(C)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-3.8045688
LogD (pH = 7.4)
-3.8045688
Log P
-3.8045688
Molar Refractivity
55.7643
Polarizability
17.698172
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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