Molecule

ID:32327

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉BrN₂O₂
Molecular Mass
339.22756
Exact Mass
338.06298986
Charge
0
InChI
InChI=1S/C15H19BrN2O2/c16-10-14(19)17-13-8-4-5-11(9-13)15(20)18-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,17,19)(H,18,20)
InChIKey
PBUDYQOOOWTKNQ-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1cccc(c1)C(=O)NC1CCCCC1
Isomeric Smiles
C(=O)(NC1CCCCC1)c1cc(NC(=O)CBr)ccc1
Calculated Properties
JChem
Acid pKa
13.317958
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8073812
LogD (pH = 7.4)
2.8073816
Log P
2.807382
Molar Refractivity
83.647
Polarizability
31.084866
Polar Surface Area
58.2
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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