Molecule

ID:94186

General Information
Structure
MolImage
Molecular Formula
C₄H₇BrF₂O
Molecular Mass
188.9985864
Exact Mass
187.96483328
Charge
0
InChI
InChI=1S/C4H7BrF2O/c5-4(6,7)2-1-3-8/h8H,1-3H2
InChIKey
YMVXWKFHZLGKAX-UHFFFAOYSA-N
Canonic Smiles
OCCCC(Br)(F)F
Isomeric Smiles
OCCCC(Br)(F)F
Calculated Properties
JChem
Acid pKa
15.962505
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3525429
LogD (pH = 7.4)
1.3525429
Log P
1.3525429
Molar Refractivity
30.5615
Polarizability
11.584955
Polar Surface Area
20.23
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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