Molecule

ID:8713

General Information
Structure
Molecular Formula
C₆H₅Br₂N
Molecular Mass
250.9186
Exact Mass
248.87887317
Charge
0
InChI
InChI=1S/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey
DYSRXWYRUJCNFI-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)Br)N
Isomeric Smiles
c1c(N)c(cc(c1)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.681112
LogD (pH = 7.4)
2.681816
Log P
2.6818252
Molar Refractivity
46.004
Polarizability
17.3581
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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