Molecule

ID:8738

General Information
Structure
MolImage
Molecular Formula
C₃Br₂F₆O
Molecular Mass
325.8299192
Exact Mass
323.82200794
Charge
0
InChI
InChI=1S/C3Br2F6O/c4-1(6,7)2(5,8)12-3(9,10)11
InChIKey
YFDBNXBLJICGCE-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(Br)(F)F)(Br)F)(F)F
Isomeric Smiles
O(C(F)(F)F)C(C(Br)(F)F)(F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.230686
LogD (pH = 7.4)
4.230686
Log P
4.230686
Molar Refractivity
30.9214
Polarizability
13.718101
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
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Molecule Details
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References
Bioactivity
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