Molecule

ID:75852

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrN₂
Molecular Mass
175.02648
Exact Mass
173.97926023
Charge
0
InChI
InChI=1S/C5H7BrN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3
InChIKey
JKVMBWITGAWCIG-UHFFFAOYSA-N
Canonic Smiles
Cc1cn(c(n1)Br)C
Isomeric Smiles
n1c(n(cc1C)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2369477
LogD (pH = 7.4)
1.2734027
Log P
1.2738892
Molar Refractivity
36.1258
Polarizability
13.685566
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
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References
Bioactivity
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