Molecule

ID:43614

General Information
Structure
MolImage
Molecular Formula
C₅H₄Br₂N₂O
Molecular Mass
267.90606
Exact Mass
265.86903676
Charge
0
InChI
InChI=1S/C5H4Br2N2O/c1-9-3(2-10)8-4(6)5(9)7/h2H,1H3
InChIKey
JHXYRJRSLIYZAM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nc(c(n1C)Br)Br
Isomeric Smiles
n1c(c(n(c1C=O)C)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9005568
LogD (pH = 7.4)
1.9005744
Log P
1.9005747
Molar Refractivity
45.8273
Polarizability
17.144716
Polar Surface Area
34.89
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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