Molecule

ID:70780

General Information
Structure
Molecular Formula
C₆H₂BrF₃IN
Molecular Mass
351.8904596
Exact Mass
350.83674373
Charge
0
InChI
InChI=1S/C6H2BrF3IN/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H
InChIKey
GFZKOHHCEWRXBE-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc(cc1I)C(F)(F)F
Isomeric Smiles
c1(c(cc(cn1)C(F)(F)F)I)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.536641
LogD (pH = 7.4)
3.536641
Log P
3.536641
Molar Refractivity
51.7023
Polarizability
19.6545
Polar Surface Area
12.89
Rotatable Bonds
1
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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