Molecule

ID:90278

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrNO
Molecular Mass
161.98466
Exact Mass
160.94762575
Charge
0
InChI
InChI=1S/C4H4BrNO/c5-1-4-2-7-3-6-4/h2-3H,1H2
InChIKey
QUAHYLYAIBFWNF-UHFFFAOYSA-N
Canonic Smiles
BrCc1cocn1
Isomeric Smiles
n1cocc1CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.7693452
LogD (pH = 7.4)
0.7693464
Log P
0.7693464
Molar Refractivity
29.0956
Polarizability
11.14708
Polar Surface Area
26.03
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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