Molecule

ID:55447

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Br₂N
Molecular Mass
273.0087
Exact Mass
270.95712349
Charge
0
InChI
InChI=1S/C7H14BrN.BrH/c1-2-9-5-3-4-7(9)6-8;/h7H,2-6H2,1H3;1H
InChIKey
XEXHCRLZJBFJRC-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCCN1CC.Br
Isomeric Smiles
N1(CCCC1CBr)CC.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.8608797
LogD (pH = 7.4)
0.91052234
Log P
1.862527
Molar Refractivity
44.2747
Polarizability
17.098726
Polar Surface Area
3.24
Rotatable Bonds
2
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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