Molecule

ID:33678

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrN₂
Molecular Mass
160.9999
Exact Mass
159.96361017
Charge
0
InChI
InChI=1S/C4H5BrN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIKey
IXJSDKIJPVSPKF-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(cn1)Br
Isomeric Smiles
n1n(cc(c1)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1698333
LogD (pH = 7.4)
1.1698582
Log P
1.1698585
Molar Refractivity
42.5842
Polarizability
11.873081
Polar Surface Area
17.82
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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