Molecule

ID:70702

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃Br₂N
Molecular Mass
246.97142
Exact Mass
244.94147342
Charge
0
InChI
InChI=1S/C5H12BrN.BrH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
InChIKey
IDBJSERXBDUKCD-UHFFFAOYSA-N
Canonic Smiles
BrCCCN(C)C.Br
Isomeric Smiles
C(CCBr)N(C)C.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.5159357
LogD (pH = 7.4)
0.2580309
Log P
1.1001143
Molar Refractivity
37.1803
Polarizability
14.171365
Polar Surface Area
3.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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