Molecule
ID:79046
General Information
Molecular Formula
C₈H₉Br₂N
Molecular Mass
278.97176
Exact Mass
276.91017329
Charge
0
InChI
InChI=1S/C8H9Br2N/c1-4-5(2)8(11)7(10)3-6(4)9/h3H,11H2,1-2H3
InChIKey
RSHQVLGRKLJUHX-UHFFFAOYSA-N
Canonic Smiles
Cc1c(Br)cc(c(c1C)N)Br
Isomeric Smiles
Nc1c(cc(c(c1C)C)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7075667
LogD (pH = 7.4)
3.708654
Log P
3.708668
Molar Refractivity
56.0864
Polarizability
20.78701
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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