Molecule

ID:87586

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂ClN
Molecular Mass
285.36366
Exact Mass
282.83990081
Charge
0
InChI
InChI=1S/C6H4Br2ClN/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3
InChIKey
AYZAQZJMQIXSLF-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(nc1C)Cl
Isomeric Smiles
n1c(c(cc(c1C)Br)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2486706
LogD (pH = 7.4)
3.2486706
Log P
3.2486706
Molar Refractivity
49.6043
Polarizability
19.21198
Polar Surface Area
12.89
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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