Molecule

ID:53308

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrFNO
Molecular Mass
258.0869632
Exact Mass
256.98515413
Charge
0
InChI
InChI=1S/C10H9BrFNO/c1-10(2)6-3-5(11)4-7(12)8(6)9(14)13-10/h3-4H,1-2H3,(H,13,14)
InChIKey
HHGWAFIYZHZTSE-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(F)c2c(c1)C(C)(C)NC2=O
Isomeric Smiles
c1(cc(cc2c1C(=O)NC2(C)C)Br)F
Calculated Properties
JChem
Acid pKa
10.761955
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4073937
LogD (pH = 7.4)
2.4072285
Log P
2.4073958
Molar Refractivity
55.4839
Polarizability
20.607826
Polar Surface Area
29.1
Rotatable Bonds
0
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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