Molecule

ID:35713

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂BrNO
Molecular Mass
324.25598
Exact Mass
323.08847633
Charge
0
InChI
InChI=1S/C16H22BrNO/c1-2-15(17)16(19)18-10-8-14(9-11-18)12-13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKey
AHRXIRJITLECJP-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)N1CCC(CC1)Cc1ccccc1)Br
Isomeric Smiles
N1(C(=O)C(Br)CC)CCC(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9469473
LogD (pH = 7.4)
3.9469473
Log P
3.9469473
Molar Refractivity
82.4005
Polarizability
31.76302
Polar Surface Area
20.31
Rotatable Bonds
4
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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