Molecule
ID:98859
General Information
Molecular Formula
C₉H₄BrF₂N
Molecular Mass
244.0355664
Exact Mass
242.94951757
Charge
0
InChI
InChI=1S/C9H4BrF2N/c10-6-4-7(11)9-5(8(6)12)2-1-3-13-9/h1-4H
InChIKey
GVFUBMHGLPCFNH-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c(c2c1nccc2)F
Isomeric Smiles
n1c2c(cc(c(c2ccc1)F)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1850514
LogD (pH = 7.4)
3.185057
Log P
3.185057
Molar Refractivity
48.0349
Polarizability
19.20858
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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