Molecule

ID:9507

General Information
Structure
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Molecular Formula
C₉H₅BrF₆
Molecular Mass
307.0304192
Exact Mass
305.94788148
Charge
0
InChI
InChI=1S/C9H5BrF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
InChIKey
SWFFFUJOWAJJCH-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(cc(ccc1CBr)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.50168
LogD (pH = 7.4)
4.50168
Log P
4.50168
Molar Refractivity
50.8558
Polarizability
18.10254
Polar Surface Area
0.0
Rotatable Bonds
3
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
No Data Available
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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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