Molecule

ID:69989

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁Br₂N
Molecular Mass
244.95554
Exact Mass
242.92582336
Charge
0
InChI
InChI=1S/C5H10BrN.BrH/c6-5-1-3-7-4-2-5;/h5,7H,1-4H2;1H
InChIKey
LVTIZXGNLIKUQZ-UHFFFAOYSA-N
Canonic Smiles
BrC1CCNCC1.Br
Isomeric Smiles
N1CCC(CC1)Br.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.4818745
LogD (pH = 7.4)
-1.2717384
Log P
0.66526824
Molar Refractivity
34.4522
Polarizability
13.481014
Polar Surface Area
12.03
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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