Molecule

ID:8718

General Information
Structure
Molecular Formula
C₇H₃Br₂F₃
Molecular Mass
303.9019296
Exact Mass
301.85535876
Charge
0
InChI
InChI=1S/C7H3Br2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKey
VWKFJAOCLPPQGR-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(F)(F)F)Br
Isomeric Smiles
FC(F)(F)c1c(Br)ccc(c1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3885994
LogD (pH = 7.4)
4.3885994
Log P
4.3885994
Molar Refractivity
47.2773
Polarizability
17.905506
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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