Molecule
ID:100534
General Information
Molecular Formula
C₂BrClF₂O
Molecular Mass
193.3746064
Exact Mass
191.87891074
Charge
0
InChI
InChI=1S/C2BrClF2O/c3-1(7)2(4,5)6
InChIKey
VQNGCPSKHQJKSJ-UHFFFAOYSA-N
Canonic Smiles
BrC(=O)C(Cl)(F)F
Isomeric Smiles
O=C(Br)C(F)(F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.799052
LogD (pH = 7.4)
1.799052
Log P
1.799052
Molar Refractivity
24.9461
Polarizability
9.717154
Polar Surface Area
17.07
Rotatable Bonds
1
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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