Molecule

ID:97774

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅BrF₃N
Molecular Mass
276.0526096
Exact Mass
274.95574583
Charge
0
InChI
InChI=1S/C10H5BrF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKey
JRTGGNDDSKKPQE-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(nc2c1cccc2)C(F)(F)F
Isomeric Smiles
n1c2c(c(cc1C(F)(F)F)Br)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.163351
LogD (pH = 7.4)
4.163352
Log P
4.163352
Molar Refractivity
53.2038
Polarizability
20.944561
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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