Molecule

ID:35561

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀BrNO
Molecular Mass
262.1866
Exact Mass
261.07282627
Charge
0
InChI
InChI=1S/C11H20BrNO/c1-3-9-7-5-6-8-13(9)11(14)10(12)4-2/h9-10H,3-8H2,1-2H3
InChIKey
HPIFPOOZFCOCLA-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1C(=O)C(CC)Br
Isomeric Smiles
N1(C(=O)C(Br)CC)C(CC)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.020653
LogD (pH = 7.4)
3.020653
Log P
3.020653
Molar Refractivity
62.0987
Polarizability
24.168564
Polar Surface Area
20.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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