Molecule

ID:90486

General Information
Structure
Molecular Formula
C₆H₁₃Br₂N
Molecular Mass
258.98212
Exact Mass
256.94147342
Charge
0
InChI
InChI=1S/C6H12BrN.BrH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
InChIKey
YQNLBRMAXPPMNV-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCNCC1.Br
Isomeric Smiles
N1CCC(CC1)CBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1056623
LogD (pH = 7.4)
-1.6478211
Log P
1.125869
Molar Refractivity
39.2702
Polarizability
15.285396
Polar Surface Area
12.03
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
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Molecule Details
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References
Bioactivity
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