Molecule
ID:94188
General Information
Molecular Formula
C₄H₅BrF₂O
Molecular Mass
186.9827064
Exact Mass
185.94918322
Charge
0
InChI
InChI=1S/C4H5BrF2O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2
InChIKey
OVDKXSKRPFFYMN-UHFFFAOYSA-N
Canonic Smiles
OC/C=C/C(Br)(F)F
Isomeric Smiles
OC/C=C/C(Br)(F)F
Calculated Properties
JChem
Acid pKa
15.606924
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3207942
LogD (pH = 7.4)
1.3207942
Log P
1.3207942
Molar Refractivity
31.6733
Polarizability
11.328504
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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