Molecule

ID:9806

General Information
Structure
MolImage
Molecular Formula
C₃HBrF₄O₂
Molecular Mass
224.9364528
Exact Mass
223.90960415
Charge
0
InChI
InChI=1S/C3HBrF4O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey
QUWQIQACQOVGDT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(F)(F)F)(Br)F
Isomeric Smiles
O=C(C(C(F)(F)F)(Br)F)O
Calculated Properties
JChem
Acid pKa
1.4173568
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5257914
LogD (pH = 7.4)
-1.6453403
Log P
1.9438587
Molar Refractivity
26.057
Polarizability
10.264578
Polar Surface Area
37.3
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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