Molecule

ID:90288

General Information
Structure
MolImage
Molecular Formula
C₅H₆BrNO
Molecular Mass
176.01124
Exact Mass
174.96327582
Charge
0
InChI
InChI=1S/C5H6BrNO/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3
InChIKey
DFHDMLPICLBQPT-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(co1)CBr
Isomeric Smiles
o1cc(nc1C)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.89240277
LogD (pH = 7.4)
0.89241105
Log P
0.8924112
Molar Refractivity
33.5363
Polarizability
12.85286
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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