Molecule

ID:96956

General Information
Structure
MolImage
Molecular Formula
C₉H₇BrClF
Molecular Mass
249.5072832
Exact Mass
247.94036812
Charge
0
InChI
InChI=1S/C9H7BrClF/c1-6(11)4-7-2-3-8(10)9(12)5-7/h2-3,5H,1,4H2
InChIKey
RVQIWZCQFXBKNW-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)Cc1ccc(c(c1)F)Br
Isomeric Smiles
Fc1c(ccc(c1)CC(=C)Cl)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.064127
LogD (pH = 7.4)
4.064127
Log P
4.064127
Molar Refractivity
53.0547
Polarizability
20.03027
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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