Molecule

ID:87799

General Information
Structure
MolImage
Molecular Formula
C₈H₉Br₂N
Molecular Mass
278.97176
Exact Mass
276.91017329
Charge
0
InChI
InChI=1S/C8H9Br2N/c1-4-3-6(9)5(2)7(10)8(4)11/h3H,11H2,1-2H3
InChIKey
NNARIZVVHGNNHI-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(C)c(c(c1C)Br)N
Isomeric Smiles
Nc1c(c(c(cc1C)Br)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.707526
LogD (pH = 7.4)
3.7086535
Log P
3.708668
Molar Refractivity
56.0864
Polarizability
20.788086
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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