Molecule

ID:61403

General Information
Structure
MolImage
Molecular Formula
C₃H₃Br₂N₃
Molecular Mass
240.88402
Exact Mass
238.86937111
Charge
0
InChI
InChI=1S/C3H3Br2N3/c1-8-3(5)6-2(4)7-8/h1H3
InChIKey
OAPQSGTTZLYWJB-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(n(n1)C)Br
Isomeric Smiles
n1c(n(nc1Br)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8372564
LogD (pH = 7.4)
1.8372564
Log P
1.8372564
Molar Refractivity
49.8578
Polarizability
14.53801
Polar Surface Area
30.71
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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