Molecule

ID:8704

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂F₃NO
Molecular Mass
334.9159696
Exact Mass
332.86117241
Charge
0
InChI
InChI=1S/C7H4Br2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChIKey
JBSWOEGXMADXOU-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cc(Br)c(c(c1)Br)N)(F)F
Isomeric Smiles
c1(cc(cc(c1N)Br)OC(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1127286
LogD (pH = 7.4)
4.112934
Log P
4.1129365
Molar Refractivity
49.0743
Polarizability
19.911768
Polar Surface Area
35.25
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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