Molecule

ID:75853

General Information
Structure
Molecular Formula
C₅H₇BrN₂
Molecular Mass
175.02648
Exact Mass
173.97926023
Charge
0
InChI
InChI=1S/C5H7BrN2/c1-4-7-3-5(6)8(4)2/h3H,1-2H3
InChIKey
WIRCWIXZNDCIST-UHFFFAOYSA-N
Canonic Smiles
Cn1c(C)ncc1Br
Isomeric Smiles
n1c(C)n(c(c1)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.009601652
LogD (pH = 7.4)
0.64012367
Log P
0.67062473
Molar Refractivity
35.755
Polarizability
13.635404
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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