Molecule

ID:78267

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrNO₃
Molecular Mass
205.99416
Exact Mass
204.93745499
Charge
0
InChI
InChI=1S/C5H4BrNO3/c1-9-5(8)3-2-4(6)7-10-3/h2H,1H3
InChIKey
DEZOJAAMBSHBIS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(no1)Br
Isomeric Smiles
o1nc(cc1C(=O)OC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.235544
LogD (pH = 7.4)
1.235544
Log P
1.235544
Molar Refractivity
37.8678
Polarizability
14.082001
Polar Surface Area
52.33
Rotatable Bonds
2
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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