Molecule

ID:124414

General Information
Structure
MolImage
Molecular Formula
C₅H₆BrN₃O₂
Molecular Mass
220.02404
Exact Mass
218.96433845
Charge
0
InChI
InChI=1S/C5H6BrN3O2/c1-11-4(10)2-9-3-7-5(6)8-9/h3H,2H2,1H3
InChIKey
MOHORHHADUWSFQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1cnc(n1)Br
Isomeric Smiles
n1c(nn(c1)CC(=O)OC)Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.39706516
LogD (pH = 7.4)
0.3970667
Log P
0.39706674
Molar Refractivity
53.0867
Polarizability
15.861079
Polar Surface Area
57.01
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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