Molecule

ID:70596

General Information
Structure
Molecular Formula
C₃H₉Br₂N
Molecular Mass
218.91826
Exact Mass
216.91017329
Charge
0
InChI
InChI=1S/C3H8BrN.BrH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKey
PQIYSSSTRHVOBW-UHFFFAOYSA-N
Canonic Smiles
NCCCBr.Br
Isomeric Smiles
C(CCBr)N.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.738976
LogD (pH = 7.4)
-2.3041472
Log P
0.28448597
Molar Refractivity
27.111
Polarizability
10.573467
Polar Surface Area
26.02
Rotatable Bonds
2
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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