Molecule

ID:100781

General Information
Structure
MolImage
Molecular Formula
C₃HBrF₄
Molecular Mass
192.9376528
Exact Mass
191.91977491
Charge
0
InChI
InChI=1S/C3HBrF4/c4-3(7,8)1-2(5)6/h1H
InChIKey
FRVWTAHTVVUDFK-UHFFFAOYSA-N
Canonic Smiles
FC(=CC(Br)(F)F)F
Isomeric Smiles
FC(C=C(F)F)(F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3940804
LogD (pH = 7.4)
2.3940804
Log P
2.3940804
Molar Refractivity
35.3547
Polarizability
9.053284
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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