Molecule
ID:100472
General Information
Molecular Formula
C₂H₂Br₂FNO
Molecular Mass
234.8497832
Exact Mass
232.84871591
Charge
0
InChI
InChI=1S/C2H2Br2FNO/c3-2(4,5)1(6)7/h(H2,6,7)
InChIKey
QKOMCDMGDPUVMH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(Br)(Br)F
Isomeric Smiles
NC(=O)C(Br)(Br)F
Calculated Properties
JChem
Acid pKa
7.4158106
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.82078373
LogD (pH = 7.4)
0.9739694
Log P
0.8161592
Molar Refractivity
30.7627
Polarizability
12.037744
Polar Surface Area
43.09
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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