Molecule

ID:75697

General Information
Structure
MolImage
Molecular Formula
C₆H₅Br₂N
Molecular Mass
250.9186
Exact Mass
248.87887317
Charge
0
InChI
InChI=1S/C6H5Br2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey
RVNUUWJGSOHMRR-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Br)cc(c1)Br
Isomeric Smiles
Nc1cc(cc(c1)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6808004
LogD (pH = 7.4)
2.6818123
Log P
2.6818252
Molar Refractivity
46.004
Polarizability
17.354198
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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