Molecule

ID:93446

General Information
Structure
MolImage
Molecular Formula
C₈H₉BrClF₃
Molecular Mass
277.5092696
Exact Mass
275.95282463
Charge
0
InChI
InChI=1S/C8H9BrClF3/c9-8(12,13)7(10,11)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKey
UFWHQTLVLTZNKX-UHFFFAOYSA-N
Canonic Smiles
FC(C(C1=CCCCC1)(Cl)F)(Br)F
Isomeric Smiles
BrC(C(C1=CCCCC1)(Cl)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.404408
LogD (pH = 7.4)
4.404408
Log P
4.404408
Molar Refractivity
51.1669
Polarizability
18.878538
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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