Molecule

ID:94380

General Information
Structure
MolImage
Molecular Formula
C₆H₂Br₂ClF
Molecular Mass
288.3394832
Exact Mass
285.81957996
Charge
0
InChI
InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChIKey
PZKDJJMHRYNBOR-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c(c(c1)Br)Cl
Isomeric Smiles
Brc1cc(cc(c1Cl)Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.257498
LogD (pH = 7.4)
4.257498
Log P
4.257498
Molar Refractivity
46.3248
Polarizability
18.16138
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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