Molecule

ID:94941

General Information
Structure
MolImage
Molecular Formula
C₇H₃Br₂F₃O
Molecular Mass
319.9013296
Exact Mass
317.85027338
Charge
0
InChI
InChI=1S/C7H3Br2F3O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H
InChIKey
UKHOUWWEEAOCTI-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cc(Br)cc(c1)Br)(F)F
Isomeric Smiles
Brc1cc(cc(c1)OC(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9418626
LogD (pH = 7.4)
4.9418626
Log P
4.9418626
Molar Refractivity
44.3739
Polarizability
18.731144
Polar Surface Area
9.23
Rotatable Bonds
2
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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