Molecule

ID:35570

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀BrNO
Molecular Mass
262.1866
Exact Mass
261.07282627
Charge
0
InChI
InChI=1S/C11H20BrNO/c1-4-10(12)11(14)13-6-8(2)5-9(3)7-13/h8-10H,4-7H2,1-3H3
InChIKey
POXJTHPOIZHMHG-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)N1CC(C)CC(C1)C)Br
Isomeric Smiles
N1(C(=O)C(Br)CC)CC(CC(C1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8115013
LogD (pH = 7.4)
2.8115013
Log P
2.8115013
Molar Refractivity
62.0991
Polarizability
24.168564
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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