Molecule
ID:89228
General Information
Molecular Formula
C₅H₅Br₂N₃
Molecular Mass
266.9213
Exact Mass
264.88502118
Charge
0
InChI
InChI=1S/C5H5Br2N3/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H4,8,9,10)
InChIKey
OMHAJKGETRBOCV-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(nc1N)N
Isomeric Smiles
n1c(c(cc(c1N)Br)Br)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6413465
LogD (pH = 7.4)
1.8212748
Log P
1.8241417
Molar Refractivity
49.1745
Polarizability
17.80044
Polar Surface Area
64.93
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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