Molecule

ID:54049

General Information
Structure
MolImage
Molecular Formula
C₃H₃Br₂N
Molecular Mass
212.87062
Exact Mass
210.8632231
Charge
0
InChI
InChI=1S/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2
InChIKey
ARRIEYYNOLTVTE-UHFFFAOYSA-N
Canonic Smiles
BrC(C#N)CBr
Isomeric Smiles
BrC(C#N)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6193836
LogD (pH = 7.4)
1.6193836
Log P
1.6193836
Molar Refractivity
31.4318
Polarizability
12.211152
Polar Surface Area
23.79
Rotatable Bonds
1
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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