Molecule

ID:59348

General Information
Structure
MolImage
Molecular Formula
C₈H₃Br₂NO₂
Molecular Mass
304.92292
Exact Mass
302.85305234
Charge
0
InChI
InChI=1S/C8H3Br2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKey
QCTZEHIRXZGGSD-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c2c(c1)C(=O)C(=O)N2
Isomeric Smiles
C1(=O)C(=O)c2c(N1)c(cc(c2)Br)Br
Calculated Properties
JChem
Acid pKa
8.463115
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1385999
LogD (pH = 7.4)
3.1048965
Log P
3.1390488
Molar Refractivity
55.7206
Polarizability
20.648355
Polar Surface Area
46.17
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
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Molecule Details
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References
Bioactivity
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