Molecule

ID:71595

General Information
Structure
MolImage
Molecular Formula
C₇H₃Br₂N₃O₂
Molecular Mass
320.92562
Exact Mass
318.85920035
Charge
0
InChI
InChI=1S/C7H3Br2N3O2/c8-3-1-4(9)6-5(2-3)12(14)11-7(13)10-6/h1-2H,(H,10,11,13)
InChIKey
JZFBDNJBKVGDJU-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c2c(c1)[n+]([O-])nc(=O)[nH]2
Isomeric Smiles
[n+]1(nc(=O)[nH]c2c1cc(cc2Br)Br)[O-]
Calculated Properties
JChem
Acid pKa
8.838079
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6028925
LogD (pH = 7.4)
1.5883142
Log P
1.603082
Molar Refractivity
58.1209
Polarizability
21.094595
Polar Surface Area
70.21
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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