Molecule

ID:13646

General Information
Structure
MolImage
Molecular Formula
C₆H₆BrN
Molecular Mass
172.02254
Exact Mass
170.9683612
Charge
0
InChI
InChI=1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
InChIKey
SOHDPICLICFSOP-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)Br
Isomeric Smiles
n1c(C)cccc1Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8609958
LogD (pH = 7.4)
1.8612154
Log P
1.8612182
Molar Refractivity
36.9576
Polarizability
14.068591
Polar Surface Area
12.89
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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