Molecule

ID:83663

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃Br₂NO
Molecular Mass
359.05642
Exact Mass
356.93638804
Charge
0
InChI
InChI=1S/C13H13Br2NO/c14-10-6-9-7-16(12(10)11(9)15)13(17)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2
InChIKey
DKFDXPLRTDNFPL-UHFFFAOYSA-N
Canonic Smiles
BrC1CC2C(C1N(C2)C(=O)c1ccccc1)Br
Isomeric Smiles
N1(C2C(Br)CC(C1)C2Br)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0447338
LogD (pH = 7.4)
3.0447352
Log P
3.0447352
Molar Refractivity
74.1752
Polarizability
28.345556
Polar Surface Area
20.31
Rotatable Bonds
1
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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