Molecule

ID:70803

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀BrNO₂
Molecular Mass
278.186
Exact Mass
277.06774089
Charge
0
InChI
InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3
InChIKey
MGGZYACWICDRRD-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(CCC1)CBr)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4506187
LogD (pH = 7.4)
2.4506187
Log P
2.4506187
Molar Refractivity
64.1665
Polarizability
24.920282
Polar Surface Area
29.54
Rotatable Bonds
3
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
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References
Bioactivity
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