Molecule
ID:29909
General Information
Molecular Formula
C₉H₉BrF₂
Molecular Mass
235.0685664
Exact Mass
233.98556873
Charge
0
InChI
InChI=1S/C9H9BrF2/c1-9(11,12)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
InChIKey
SAHNEOQOFLAPRM-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)CC(F)(F)C
Isomeric Smiles
c1(cc(ccc1)CC(C)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4391088
LogD (pH = 7.4)
3.4391088
Log P
3.4391088
Molar Refractivity
48.652
Polarizability
18.178564
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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