Molecule

ID:68392

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrN₂
Molecular Mass
187.03718
Exact Mass
185.97926023
Charge
0
InChI
InChI=1S/C6H7BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H,3,8H2
InChIKey
AUIXMWKVLPXKGC-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cn1)Br
Isomeric Smiles
C(N)c1ccc(cn1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.982661
LogD (pH = 7.4)
-0.39408228
Log P
0.73156637
Molar Refractivity
39.4751
Polarizability
15.609482
Polar Surface Area
38.91
Rotatable Bonds
1
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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