Molecule

ID:6802

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrClF₃
Molecular Mass
237.4454096
Exact Mass
235.9215245
Charge
0
InChI
InChI=1S/C5H5BrClF3/c1-2-3-4(7,8)5(6,9)10/h2-3H,1H3/b3-2+
InChIKey
QQVDBKBIOLTXSK-NSCUHMNNSA-N
Canonic Smiles
C/C=C/C(C(Br)(F)F)(Cl)F
Isomeric Smiles
C(C(/C=C/C)(F)Cl)(Br)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7356353
LogD (pH = 7.4)
3.7356353
Log P
3.7356353
Molar Refractivity
39.4851
Polarizability
14.313075
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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