Molecule

ID:7056

General Information
Structure
MolImage
Molecular Formula
C₆H₃Br₂ClFN
Molecular Mass
303.3541232
Exact Mass
300.830479
Charge
0
InChI
InChI=1S/C6H3Br2ClFN/c7-2-1-3(10)5(9)4(8)6(2)11/h1H,11H2
InChIKey
PRZBEZGEEPNKRO-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c(c(c1Cl)Br)N
Isomeric Smiles
Nc1c(Br)c(Cl)c(F)cc1Br
Calculated Properties
JChem
Acid pKa
18.780151
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4285526
LogD (pH = 7.4)
3.4285715
Log P
3.4285717
Molar Refractivity
51.0252
Polarizability
19.360138
Polar Surface Area
26.02
Rotatable Bonds
0
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
References
Bioactivity
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