Molecule

ID:99040

General Information
Structure
MolImage
Molecular Formula
C₃HBrF₆O
Molecular Mass
246.9338592
Exact Mass
245.91149597
Charge
0
InChI
InChI=1S/C3HBrF6O/c4-2(7,1(5)6)11-3(8,9)10/h1H
InChIKey
AWOMFEUKFYXKCV-UHFFFAOYSA-N
Canonic Smiles
FC(C(OC(F)(F)F)(Br)F)F
Isomeric Smiles
BrC(C(F)F)(OC(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3848662
LogD (pH = 7.4)
3.3848662
Log P
3.3848662
Molar Refractivity
22.3884
Polarizability
10.427484
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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