Molecule

ID:70223

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrN₂
Molecular Mass
160.9999
Exact Mass
159.96361017
Charge
0
InChI
InChI=1S/C4H5BrN2/c1-3-2-4(5)7-6-3/h2H,1H3,(H,6,7)
InChIKey
SVRPUGWCOWUQOY-UHFFFAOYSA-N
Canonic Smiles
Brc1n[nH]c(c1)C
Isomeric Smiles
[nH]1nc(cc1C)Br
Calculated Properties
JChem
Acid pKa
13.608022
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4512496
LogD (pH = 7.4)
1.4512653
Log P
1.4512658
Molar Refractivity
33.3601
Polarizability
11.9217
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
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References
Bioactivity
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