Molecule

ID:18571

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄BrN
Molecular Mass
192.09676
Exact Mass
191.03096145
Charge
0
InChI
InChI=1S/C7H14BrN/c8-5-4-7-3-1-2-6-9-7/h7,9H,1-6H2
InChIKey
UISQNTXFRUUKBZ-UHFFFAOYSA-N
Canonic Smiles
BrCCC1CCCCN1
Isomeric Smiles
N1C(CCBr)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.56274
LogD (pH = 7.4)
-0.5709524
Log P
1.6271995
Molar Refractivity
43.6978
Polarizability
17.097967
Polar Surface Area
12.03
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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