Molecule

ID:32264

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉BrN₂O₂
Molecular Mass
339.22756
Exact Mass
338.06298986
Charge
0
InChI
InChI=1S/C15H19BrN2O2/c16-11-14(19)17-13-8-4-3-7-12(13)15(20)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-11H2,(H,17,19)
InChIKey
SPSOUILUDJIOBK-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1ccccc1C(=O)N1CCCCCC1
Isomeric Smiles
C(=O)(c1c(NC(=O)CBr)cccc1)N1CCCCCC1
Calculated Properties
JChem
Acid pKa
12.27056
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1767216
LogD (pH = 7.4)
3.1767168
Log P
3.1767225
Molar Refractivity
84.2725
Polarizability
31.086264
Polar Surface Area
49.41
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
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Molecule Details
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References
Bioactivity
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