Molecule

ID:100738

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₃IO
Molecular Mass
366.9017996
Exact Mass
365.83640938
Charge
0
InChI
InChI=1S/C7H3BrF3IO/c8-4-1-5(12)3-6(2-4)13-7(9,10)11/h1-3H
InChIKey
SJEYHNDEVIRTLB-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(cc(c1)I)OC(F)(F)F
Isomeric Smiles
Brc1cc(cc(c1)OC(F)(F)F)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1020546
LogD (pH = 7.4)
5.1020546
Log P
5.1020546
Molar Refractivity
50.1136
Polarizability
21.121077
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
false
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
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References
Bioactivity
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