Molecule
ID:67988
General Information
Molecular Formula
C₄H₄Br₂N₂
Molecular Mass
239.89596
Exact Mass
237.87412214
Charge
0
InChI
InChI=1S/C4H4Br2N2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
InChIKey
RWHYUTSGEJYTMQ-UHFFFAOYSA-N
Canonic Smiles
Brc1[nH]c(c(n1)C)Br
Isomeric Smiles
c1(nc(c([nH]1)Br)C)Br
Calculated Properties
JChem
Acid pKa
10.397037
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5144906
LogD (pH = 7.4)
1.5188767
Log P
1.5193212
Molar Refractivity
38.6339
Polarizability
15.191025
Polar Surface Area
28.68
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
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Related Proteins
No Data Available
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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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