Molecule

ID:32374

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)8-3-5-9(6-4-8)13-10(15)7-12/h3-6H,7H2,1-2H3,(H,13,15)
InChIKey
JIXRAPVRBOYMPP-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1ccc(cc1)C(=O)N(C)C
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CBr)cc1)N(C)C
Calculated Properties
JChem
Acid pKa
13.136543
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2317874
LogD (pH = 7.4)
1.231787
Log P
1.2317877
Molar Refractivity
67.5295
Polarizability
24.522259
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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