Molecule

ID:54050

General Information
Structure
MolImage
Molecular Formula
C₅H₃Br₂NO
Molecular Mass
252.89142
Exact Mass
250.85813772
Charge
0
InChI
InChI=1S/C5H3Br2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
InChIKey
MXBBVOSRBZCCOD-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc(c1O)Br
Isomeric Smiles
c1(cncc(c1O)Br)Br
Calculated Properties
JChem
Acid pKa
7.3246684
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9832036
LogD (pH = 7.4)
1.6608723
Log P
1.9895133
Molar Refractivity
41.1276
Polarizability
16.182978
Polar Surface Area
33.12
Rotatable Bonds
0
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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