Molecule

ID:71925

General Information
Structure
Molecular Formula
C₆H₉BrN₂
Molecular Mass
189.05306
Exact Mass
187.9949103
Charge
0
InChI
InChI=1S/C6H9N2.BrH/c1-3-7-5-2-6-8(7)4-1;/h1,3-4H,2,5-6H2;1H/q+1;/p-1
InChIKey
STIONJAZNXKTOH-UHFFFAOYSA-M
Canonic Smiles
C1C[n+]2n(C1)ccc2.[Br-]
Isomeric Smiles
[n+]12n(ccc1)CCC2.[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.7667742
LogD (pH = 7.4)
-2.7667742
Log P
-2.7667742
Molar Refractivity
53.3978
Polarizability
12.03592
Polar Surface Area
8.81
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
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Molecule Details
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References
Bioactivity
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