Molecule

ID:98340

General Information
Structure
MolImage
Molecular Formula
C₆H₂Br₂F₃N
Molecular Mass
304.8899896
Exact Mass
302.85060773
Charge
0
InChI
InChI=1S/C6H2Br2F3N/c7-3-1-2-4(6(9,10)11)12-5(3)8/h1-2H
InChIKey
ZNXWEXDLRUCUPC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1Br)C(F)(F)F
Isomeric Smiles
n1c(c(ccc1C(F)(F)F)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7622995
LogD (pH = 7.4)
3.7622995
Log P
3.7622995
Molar Refractivity
45.5906
Polarizability
17.266375
Polar Surface Area
12.89
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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