Molecule

ID:70727

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₄O
Molecular Mass
258.9957328
Exact Mass
257.9303396
Charge
0
InChI
InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChIKey
SBSFDYRKNUCGBZ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)OC(F)(F)F
Isomeric Smiles
c1(cc(c(cc1)OC(F)(F)F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.315812
LogD (pH = 7.4)
4.315812
Log P
4.315812
Molar Refractivity
36.9675
Polarizability
15.471952
Polar Surface Area
9.23
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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