Molecule

ID:74704

General Information
Structure
MolImage
Molecular Formula
C₃H₃BrN₂
Molecular Mass
146.97332
Exact Mass
145.94796011
Charge
0
InChI
InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey
AXHRGVJWDJDYPO-UHFFFAOYSA-N
Canonic Smiles
Brc1ncc[nH]1
Isomeric Smiles
n1c([nH]cc1)Br
Calculated Properties
JChem
Acid pKa
11.08134
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.854432
LogD (pH = 7.4)
0.91786975
Log P
0.9188429
Molar Refractivity
26.6376
Polarizability
10.253857
Polar Surface Area
28.68
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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