Molecule

ID:100108

General Information
Structure
MolImage
Molecular Formula
C₃BrF₅O
Molecular Mass
226.927516
Exact Mass
225.90526772
Charge
0
InChI
InChI=1S/C3BrF5O/c4-1(2(5,6)7)3(8,9)10-1
InChIKey
HWOIHZPYLYTJGZ-UHFFFAOYSA-N
Canonic Smiles
FC(C1(Br)OC1(F)F)(F)F
Isomeric Smiles
O1C(C1(Br)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7589726
LogD (pH = 7.4)
2.7589726
Log P
2.7589726
Molar Refractivity
24.5504
Polarizability
9.683317
Polar Surface Area
12.53
Rotatable Bonds
1
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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