Molecule

ID:75890

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrN₂
Molecular Mass
160.9999
Exact Mass
159.96361017
Charge
0
InChI
InChI=1S/C4H5BrN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChIKey
APWKDMLCPWYWKA-UHFFFAOYSA-N
Canonic Smiles
Brc1nc[nH]c1C
Isomeric Smiles
n1c[nH]c(c1Br)C
Calculated Properties
JChem
Acid pKa
12.675205
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.052502878
LogD (pH = 7.4)
0.4455863
Log P
0.45525408
Molar Refractivity
31.0091
Polarizability
11.919551
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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