Molecule
ID:100284
General Information
Molecular Formula
C₇H₃BrClFO
Molecular Mass
237.4535232
Exact Mass
235.90398262
Charge
0
InChI
InChI=1S/C7H3BrClFO/c8-5-2-1-4(7(9)11)3-6(5)10/h1-3H
InChIKey
QKNNWDFHKRIYJH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(c(c1)F)Br
Isomeric Smiles
O=C(c1cc(c(cc1)Br)F)Cl
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
16.917116
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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