Molecule

ID:93195

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrF₇O
Molecular Mass
290.9616024
Exact Mass
289.91772422
Charge
0
InChI
InChI=1S/C5H2BrF7O/c1-2(6)3(7,4(8,9)10)14-5(11,12)13/h1H2
InChIKey
OEIBKUOPGVLTNS-UHFFFAOYSA-N
Canonic Smiles
BrC(=C)C(C(F)(F)F)(OC(F)(F)F)F
Isomeric Smiles
FC(C(OC(F)(F)F)(C(=C)Br)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4315634
LogD (pH = 7.4)
4.4315634
Log P
4.4315634
Molar Refractivity
31.5232
Polarizability
13.526706
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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