Molecule
ID:99751
General Information
Molecular Formula
C₇H₃BrClFO
Molecular Mass
237.4535232
Exact Mass
235.90398262
Charge
0
InChI
InChI=1S/C7H3BrClFO/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3H
InChIKey
QIFDGTIOMAVGAQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)Cl)Br
Isomeric Smiles
ClC(=O)c1c(ccc(c1)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.075613
LogD (pH = 7.4)
3.075613
Log P
3.075613
Molar Refractivity
45.0119
Polarizability
16.913784
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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