Molecule

ID:97926

General Information
Structure
MolImage
Molecular Formula
C₉H₈BrF₃
Molecular Mass
253.0590296
Exact Mass
251.97614692
Charge
0
InChI
InChI=1S/C9H8BrF3/c10-6-8-3-1-7(2-4-8)5-9(11,12)13/h1-4H,5-6H2
InChIKey
ALCNRQAKSCIUHM-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)CC(F)(F)F
Isomeric Smiles
BrCc1ccc(cc1)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8941348
LogD (pH = 7.4)
3.8941348
Log P
3.8941348
Molar Refractivity
49.3339
Polarizability
18.032661
Polar Surface Area
0.0
Rotatable Bonds
3
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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