Molecule

ID:13678

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrN₂
Molecular Mass
173.0106
Exact Mass
171.96361017
Charge
0
InChI
InChI=1S/C5H5BrN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
InChIKey
HKDVVTLISGIPFE-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1Br
Isomeric Smiles
c1cnc(c(c1)N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.90079755
LogD (pH = 7.4)
0.9009205
Log P
0.90092206
Molar Refractivity
37.0665
Polarizability
13.516765
Polar Surface Area
38.91
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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