Molecule

ID:94191

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrF₂O
Molecular Mass
186.9827064
Exact Mass
185.94918322
Charge
0
InChI
InChI=1S/C4H5BrF2O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2
InChIKey
OBLLJROOZRSJJK-UHFFFAOYSA-N
Canonic Smiles
FC(CC1OC1)(Br)F
Isomeric Smiles
O1C(C1)CC(Br)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1981894
LogD (pH = 7.4)
1.1981894
Log P
1.1981894
Molar Refractivity
28.2589
Polarizability
11.004654
Polar Surface Area
12.53
Rotatable Bonds
2
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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