Molecule

ID:112062

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈BrNO₂
Molecular Mass
240.13802
Exact Mass
239.05209082
Charge
0
InChI
InChI=1S/C8H18NO2.BrH/c1-5-8(10)11-7-6-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKey
UTLQQOHOKLDRSX-UHFFFAOYSA-M
Canonic Smiles
CCC(=O)OCC[N+](C)(C)C.[Br-]
Isomeric Smiles
[Br-].CCC(=O)OCC[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-3.520608
LogD (pH = 7.4)
-3.520608
Log P
-3.520608
Molar Refractivity
55.9724
Polarizability
17.698172
Polar Surface Area
26.3
Rotatable Bonds
5
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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