Molecule

ID:8700

General Information
Structure
MolImage
Molecular Formula
C₄HBr₂F₅O
Molecular Mass
319.850156
Exact Mass
317.83142975
Charge
0
InChI
InChI=1S/C4HBr2F5O/c5-2(6)1(12)3(7,8)4(9,10)11/h2H
InChIKey
OJSMVZNNJAOBLZ-UHFFFAOYSA-N
Canonic Smiles
BrC(C(=O)C(C(F)(F)F)(F)F)Br
Isomeric Smiles
O=C(C(C(F)(F)F)(F)F)C(Br)Br
Calculated Properties
JChem
Acid pKa
10.613153
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9498634
LogD (pH = 7.4)
2.9496012
Log P
2.9498668
Molar Refractivity
37.482
Polarizability
14.623898
Polar Surface Area
17.07
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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