Molecule

ID:63580

General Information
Structure
MolImage
Molecular Formula
C₄H₃Br₂N₃
Molecular Mass
252.89472
Exact Mass
250.86937111
Charge
0
InChI
InChI=1S/C4H3Br2N3/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,7,9)
InChIKey
ZEDFFSRZLCREEN-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(n1)N)Br
Isomeric Smiles
c1(cnc(Br)c(N)n1)Br
Calculated Properties
JChem
Acid pKa
17.360804
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2519817
LogD (pH = 7.4)
1.2519819
Log P
1.2519819
Molar Refractivity
43.6881
Polarizability
15.982159
Polar Surface Area
51.8
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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