Molecule

ID:118344

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrNO₂
Molecular Mass
268.1066
Exact Mass
266.98949057
Charge
0
InChI
InChI=1S/C11H10BrNO2/c12-9-3-1-7(2-4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)
InChIKey
SNIAVEPVHCNSOA-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(CC(=O)N1)c1ccc(cc1)Br
Isomeric Smiles
N1C(=O)CC(CC1=O)c1ccc(cc1)Br
Calculated Properties
JChem
Acid pKa
11.543858
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6406724
LogD (pH = 7.4)
1.6406419
Log P
1.6406728
Molar Refractivity
59.1488
Polarizability
22.951937
Polar Surface Area
46.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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