Molecule

ID:92342

General Information
Structure
MolImage
Molecular Formula
C₃HBr₃N₂
Molecular Mass
304.76544
Exact Mass
301.76898404
Charge
0
InChI
InChI=1S/C3HBr3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)
InChIKey
JCGGPCDDFXIVQB-UHFFFAOYSA-N
Canonic Smiles
Brc1[nH]c(c(n1)Br)Br
Isomeric Smiles
n1c(Br)[nH]c(c1Br)Br
Calculated Properties
JChem
Acid pKa
7.330762
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3565931
LogD (pH = 7.4)
2.0835142
Log P
2.3622258
Molar Refractivity
42.5074
Polarizability
16.836098
Polar Surface Area
28.68
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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