Molecule

ID:99372

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrFNO
Molecular Mass
203.9965232
Exact Mass
202.93820394
Charge
0
InChI
InChI=1S/C6H3BrFNO/c7-6-2-1-4(8)5(3-10)9-6/h1-3H
InChIKey
BFBRCFKSFRYJGE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nc(Br)ccc1F
Isomeric Smiles
n1c(ccc(c1C=O)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2595954
LogD (pH = 7.4)
2.2595954
Log P
2.2595954
Molar Refractivity
38.7813
Polarizability
14.215838
Polar Surface Area
29.96
Rotatable Bonds
1
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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