Molecule

ID:84193

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄BrNO
Molecular Mass
326.27186
Exact Mass
325.10412639
Charge
0
InChI
InChI=1S/C16H24BrNO/c1-15(2,3)11-16(4,5)18-14(19)13(17)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3,(H,18,19)
InChIKey
KVWSMLXTFPZZAX-UHFFFAOYSA-N
Canonic Smiles
BrC(c1ccccc1)C(=O)NC(CC(C)(C)C)(C)C
Isomeric Smiles
N(C(=O)C(c1ccccc1)Br)C(CC(C)(C)C)(C)C
Calculated Properties
JChem
Acid pKa
13.399566
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.460773
LogD (pH = 7.4)
4.460773
Log P
4.460773
Molar Refractivity
83.4115
Polarizability
32.550373
Polar Surface Area
29.1
Rotatable Bonds
5
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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