Molecule

ID:88157

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrN₂
Molecular Mass
173.0106
Exact Mass
171.96361017
Charge
0
InChI
InChI=1S/C5H5BrN2/c6-3-5-4-7-1-2-8-5/h1-2,4H,3H2
InChIKey
VNMORBLLLTZLLT-UHFFFAOYSA-N
Canonic Smiles
BrCc1cnccn1
Isomeric Smiles
n1c(cncc1)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.39210695
LogD (pH = 7.4)
0.39211017
Log P
0.3921102
Molar Refractivity
34.0724
Polarizability
13.203431
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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