Molecule

ID:71250

General Information
Structure
MolImage
Molecular Formula
C₅H₃Br₃N₂
Molecular Mass
330.80272
Exact Mass
327.78463411
Charge
0
InChI
InChI=1S/C5H3Br3N2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
InChIKey
KJTNPANGUADKEB-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1N)Br)Br
Isomeric Smiles
c1(c(c(cnc1Br)Br)N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4382596
LogD (pH = 7.4)
2.4384253
Log P
2.4384272
Molar Refractivity
52.3121
Polarizability
19.894382
Polar Surface Area
38.91
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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