Molecule

ID:65094

General Information
Structure
MolImage
Molecular Formula
C₄HBr₃N₂
Molecular Mass
316.77614
Exact Mass
313.76898404
Charge
0
InChI
InChI=1S/C4HBr3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChIKey
AHEYFWKLKMOHCI-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)nc(n1)Br
Isomeric Smiles
n1c(nc(cc1Br)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0568879
LogD (pH = 7.4)
3.0568879
Log P
3.0568879
Molar Refractivity
47.7498
Polarizability
18.141966
Polar Surface Area
25.78
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
References
Bioactivity
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