Molecule

ID:40944

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄BrNO₂
Molecular Mass
344.20256
Exact Mass
343.02079069
Charge
0
InChI
InChI=1S/C17H14BrNO2/c1-2-21-17(20)16-14(12-6-8-13(18)9-7-12)11-19-10-4-3-5-15(16)19/h3-11H,2H2,1H3
InChIKey
KUSFLFNCMBHEDY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(cn2c1cccc2)c1ccc(cc1)Br
Isomeric Smiles
c1(c(cn2c1cccc2)c1ccc(cc1)Br)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3860226
LogD (pH = 7.4)
4.3860226
Log P
4.3860226
Molar Refractivity
87.6736
Polarizability
34.72215
Polar Surface Area
30.71
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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