Molecule

ID:84220

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂BrNO
Molecular Mass
324.25598
Exact Mass
323.08847633
Charge
0
InChI
InChI=1S/C16H22BrNO/c17-15(13-9-5-4-6-10-13)16(19)18-14-11-7-2-1-3-8-12-14/h4-6,9-10,14-15H,1-3,7-8,11-12H2,(H,18,19)
InChIKey
XJDQIYDCHPFEGQ-UHFFFAOYSA-N
Canonic Smiles
BrC(c1ccccc1)C(=O)NC1CCCCCCC1
Isomeric Smiles
N(C1CCCCCCC1)C(=O)C(c1ccccc1)Br
Calculated Properties
JChem
Acid pKa
13.372434
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.5410643
LogD (pH = 7.4)
4.541064
Log P
4.5410643
Molar Refractivity
81.6734
Polarizability
31.834993
Polar Surface Area
29.1
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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