Molecule

ID:8926

General Information
Structure
MolImage
Molecular Formula
C₉H₈BrN
Molecular Mass
210.07052
Exact Mass
208.98401126
Charge
0
InChI
InChI=1S/C9H8BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2
InChIKey
QAWLKTDBUQOFEF-UHFFFAOYSA-N
Canonic Smiles
N#CCCc1ccc(cc1)Br
Isomeric Smiles
N#CCCc1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8822644
LogD (pH = 7.4)
2.8822644
Log P
2.8822644
Molar Refractivity
48.5687
Polarizability
18.451801
Polar Surface Area
23.79
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
No Data Available
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Molecule Details
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References
Bioactivity
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