Molecule

ID:94850

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrF₄O
Molecular Mass
271.0064328
Exact Mass
269.9303396
Charge
0
InChI
InChI=1S/C8H3BrF4O/c9-5-3-4(1-2-6(5)10)7(14)8(11,12)13/h1-3H
InChIKey
SFVGYPOXYKGQCG-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)c1ccc(c(c1)Br)F
Isomeric Smiles
Brc1cc(ccc1F)C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5746765
LogD (pH = 7.4)
3.5746765
Log P
3.5746765
Molar Refractivity
45.3102
Polarizability
16.634386
Polar Surface Area
17.07
Rotatable Bonds
2
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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