Molecule

ID:94288

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrF₄O
Molecular Mass
239.0060928
Exact Mass
237.96163972
Charge
0
InChI
InChI=1S/C5H7BrF4O/c6-5(9,10)4(7,8)2-1-3-11/h11H,1-3H2
InChIKey
SFZAVKMARQFPHC-UHFFFAOYSA-N
Canonic Smiles
OCCCC(C(Br)(F)F)(F)F
Isomeric Smiles
BrC(F)(F)C(F)(F)CCCO
Calculated Properties
JChem
Acid pKa
15.963804
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8428422
LogD (pH = 7.4)
1.8428422
Log P
1.8428422
Molar Refractivity
35.6431
Polarizability
13.40677
Polar Surface Area
20.23
Rotatable Bonds
4
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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