Molecule

ID:32267

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrN₂O₂
Molecular Mass
285.13712
Exact Mass
284.01603967
Charge
0
InChI
InChI=1S/C11H13BrN2O2/c1-14(2)11(16)8-5-3-4-6-9(8)13-10(15)7-12/h3-6H,7H2,1-2H3,(H,13,15)
InChIKey
LJRPHOMAEAJXOD-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1ccccc1C(=O)N(C)C
Isomeric Smiles
c1(C(=O)N(C)C)c(NC(=O)CBr)cccc1
Calculated Properties
JChem
Acid pKa
12.272027
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8817875
LogD (pH = 7.4)
1.8817822
Log P
1.8817877
Molar Refractivity
67.5295
Polarizability
24.523989
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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