Molecule

ID:55446

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Br₂N
Molecular Mass
273.0087
Exact Mass
270.95712349
Charge
0
InChI
InChI=1S/C7H14BrN.BrH/c1-9-4-2-3-7(5-8)6-9;/h7H,2-6H2,1H3;1H
InChIKey
DLHCVBOOBNKDEH-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCCN(C1)C.Br
Isomeric Smiles
C1CCN(CC1CBr)C.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.26486
LogD (pH = 7.4)
0.49695882
Log P
1.5504737
Molar Refractivity
44.4661
Polarizability
17.0981
Polar Surface Area
3.24
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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