Molecule

ID:88924

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂ClN
Molecular Mass
285.36366
Exact Mass
282.83990081
Charge
0
InChI
InChI=1S/C6H4Br2ClN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
MFROLNRQDCAZCD-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Cl)c(c(c1)Br)N
Isomeric Smiles
Nc1c(cc(cc1Br)Br)Cl
Calculated Properties
JChem
Acid pKa
18.385754
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2858377
LogD (pH = 7.4)
3.2858694
Log P
3.2858698
Molar Refractivity
50.8088
Polarizability
19.372995
Polar Surface Area
26.02
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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