Molecule

ID:68906

General Information
Structure
MolImage
Molecular Formula
C₇H₇Br₂N
Molecular Mass
264.94518
Exact Mass
262.89452323
Charge
0
InChI
InChI=1S/C7H7Br2N/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,10H2,1H3
InChIKey
ATDIROHVRVQMRO-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Br)c(c(c1)Br)N
Isomeric Smiles
Nc1c(cc(cc1Br)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1947803
LogD (pH = 7.4)
3.1952407
Log P
3.1952465
Molar Refractivity
51.0452
Polarizability
19.072392
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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