Molecule

ID:99482

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrCl₂F
Molecular Mass
257.9150632
Exact Mass
255.88574571
Charge
0
InChI
InChI=1S/C7H4BrCl2F/c8-5-1-4(7(9)10)2-6(11)3-5/h1-3,7H
InChIKey
HEKPKYAZKHKWPY-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)cc(c1)C(Cl)Cl
Isomeric Smiles
ClC(c1cc(cc(c1)F)Br)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1406426
LogD (pH = 7.4)
4.1406426
Log P
4.1406426
Molar Refractivity
48.8182
Polarizability
18.652346
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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