Molecule

ID:100580

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅BrF₃N
Molecular Mass
276.0526096
Exact Mass
274.95574583
Charge
0
InChI
InChI=1S/C10H5BrF3N/c11-9-7(10(12,13)14)5-6-3-1-2-4-8(6)15-9/h1-5H
InChIKey
OIORPEGSEBEYDC-UHFFFAOYSA-N
Canonic Smiles
Brc1nc2ccccc2cc1C(F)(F)F
Isomeric Smiles
n1c(c(cc2ccccc12)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9830227
LogD (pH = 7.4)
3.9830236
Log P
3.9830236
Molar Refractivity
54.418
Polarizability
20.990814
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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