Molecule

ID:79036

General Information
Structure
Molecular Formula
C₅H₆Br₃N₃
Molecular Mass
347.83324
Exact Mass
344.81118321
Charge
0
InChI
InChI=1S/C5H6Br3N3/c6-3-4(7)10-11(2-1-9)5(3)8/h1-2,9H2
InChIKey
ZVTDQJKYKUSBJR-UHFFFAOYSA-N
Canonic Smiles
NCCn1nc(c(c1Br)Br)Br
Isomeric Smiles
n1(c(c(c(n1)Br)Br)Br)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1837702
LogD (pH = 7.4)
-0.3563629
Log P
1.8162575
Molar Refractivity
66.4038
Polarizability
21.627672
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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