Molecule

ID:77574

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrN₂
Molecular Mass
173.0106
Exact Mass
171.96361017
Charge
0
InChI
InChI=1S/C5H5BrN2/c1-4-2-7-3-5(6)8-4/h2-3H,1H3
InChIKey
YEFFNSANFKOYSF-UHFFFAOYSA-N
Canonic Smiles
Cc1cncc(n1)Br
Isomeric Smiles
n1c(cncc1C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6435451
LogD (pH = 7.4)
0.64354575
Log P
0.64354575
Molar Refractivity
34.8007
Polarizability
13.2798
Polar Surface Area
25.78
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
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References
Bioactivity
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