Molecule

ID:43628

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈BrF₃N₂O₂
Molecular Mass
337.0926296
Exact Mass
335.97212417
Charge
0
InChI
InChI=1S/C11H8BrF3N2O2/c1-2-19-10(18)8-9(12)17-5-6(11(13,14)15)3-4-7(17)16-8/h3-5H,2H2,1H3
InChIKey
HWFCCBLILMNNML-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2n(c1Br)cc(cc2)C(F)(F)F
Isomeric Smiles
n12c(c(nc1ccc(c2)C(F)(F)F)C(=O)OCC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6517231
LogD (pH = 7.4)
2.6526296
Log P
2.6526413
Molar Refractivity
65.7168
Polarizability
24.048916
Polar Surface Area
43.6
Rotatable Bonds
4
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
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References
Bioactivity
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