Molecule

ID:65700

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂N₂O₂
Molecular Mass
307.92686
Exact Mass
305.86395138
Charge
0
InChI
InChI=1S/C7H4Br2N2O2/c8-3-1-4(9)10-7-6(3)13-2-5(12)11-7/h1H,2H2,(H,10,11,12)
InChIKey
JHZOISDXZFHKJP-UHFFFAOYSA-N
Canonic Smiles
O=C1COc2c(N1)nc(cc2Br)Br
Isomeric Smiles
c1c(nc2c(c1Br)OCC(=O)N2)Br
Calculated Properties
JChem
Acid pKa
10.966346
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8744247
LogD (pH = 7.4)
1.8743143
Log P
1.8744264
Molar Refractivity
55.0695
Polarizability
20.54069
Polar Surface Area
51.22
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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