Molecule

ID:99607

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉BrFNO₂
Molecular Mass
334.1398632
Exact Mass
332.98006875
Charge
0
InChI
InChI=1S/C15H9BrFNO2/c16-10-6-5-9(13(17)7-10)8-18-14(19)11-3-1-2-4-12(11)15(18)20/h1-7H,8H2
InChIKey
UMYSNUBQOISARG-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2ccccc2C1=O)Cc1ccc(cc1F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5530267
LogD (pH = 7.4)
3.5530267
Log P
3.5530267
Molar Refractivity
76.6633
Polarizability
28.154219
Polar Surface Area
37.38
Rotatable Bonds
2
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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