Molecule

ID:6786

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrN₂
Molecular Mass
187.03718
Exact Mass
185.97926023
Charge
0
InChI
InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
InChIKey
SEOZHXRTVJPQPZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(n1)C)Br
Isomeric Smiles
c1(C)c(Br)ccc(N)n1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8544219
LogD (pH = 7.4)
1.4063392
Log P
1.4212278
Molar Refractivity
41.1293
Polarizability
15.19733
Polar Surface Area
38.91
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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