Molecule
ID:60382
General Information
Molecular Formula
C₆H₈Br₂N₂
Molecular Mass
267.94912
Exact Mass
265.90542227
Charge
0
InChI
InChI=1S/C6H8Br2N2/c1-3(2)6-9-4(7)5(8)10-6/h3H,1-2H3,(H,9,10)
InChIKey
FRIKRFHXGZYYIL-UHFFFAOYSA-N
Canonic Smiles
Brc1[nH]c(nc1Br)C(C)C
Isomeric Smiles
n1c([nH]c(c1Br)Br)C(C)C
Calculated Properties
JChem
Acid pKa
9.972824
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6468356
LogD (pH = 7.4)
2.6634977
Log P
2.6647453
Molar Refractivity
48.5247
Polarizability
18.674158
Polar Surface Area
28.68
Rotatable Bonds
1
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
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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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