Molecule

ID:93233

General Information
Structure
MolImage
Molecular Formula
C₉H₈BrF₃
Molecular Mass
253.0590296
Exact Mass
251.97614692
Charge
0
InChI
InChI=1S/C9H8BrF3/c1-6-2-3-8(9(11,12)13)4-7(6)5-10/h2-4H,5H2,1H3
InChIKey
ZQYDOVMTWZCBIH-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(ccc1C)C(F)(F)F
Isomeric Smiles
BrCc1c(ccc(c1)C(F)(F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.137253
LogD (pH = 7.4)
4.137253
Log P
4.137253
Molar Refractivity
49.9233
Polarizability
18.02479
Polar Surface Area
0.0
Rotatable Bonds
2
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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