Molecule

ID:45186

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrF₃IN
Molecular Mass
365.9170396
Exact Mass
364.85239379
Charge
0
InChI
InChI=1S/C7H4BrF3IN/c8-4-2-5(12)6(13)1-3(4)7(9,10)11/h1-2H,13H2
InChIKey
SKAKTQHZBAPCBH-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(I)c(cc1C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(cc(c(c1)N)I)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7197495
LogD (pH = 7.4)
3.719864
Log P
3.7198656
Molar Refractivity
57.7174
Polarizability
21.476536
Polar Surface Area
26.02
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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