Molecule

ID:60388

General Information
Structure
MolImage
Molecular Formula
C₃H₃BrN₂O
Molecular Mass
162.97272
Exact Mass
161.94287473
Charge
0
InChI
InChI=1S/C3H3BrN2O/c1-2-5-3(4)6-7-2/h1H3
InChIKey
STAIGPZGPQPXIB-UHFFFAOYSA-N
Canonic Smiles
Brc1noc(n1)C
Isomeric Smiles
n1c(noc1C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.83293945
LogD (pH = 7.4)
0.83293945
Log P
0.83293945
Molar Refractivity
29.2123
Polarizability
10.555233
Polar Surface Area
38.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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