Molecule

ID:120442

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Br₂N₂O₄
Molecular Mass
357.984
Exact Mass
355.90073081
Charge
0
InChI
InChI=1S/C8H10Br2N2O4/c1-5(13)15-11-7(3-9)8(4-10)12-16-6(2)14/h3-4H2,1-2H3/b11-7+,12-8+
InChIKey
WJIZQROZLVVZAP-MKICQXMISA-N
Canonic Smiles
BrC/C(=N\OC(=O)C)/C(=N/OC(=O)C)/CBr
Isomeric Smiles
C(=N\OC(=O)C)(/C(=N/OC(=O)C)/CBr)\CBr
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.145923
LogD (pH = 7.4)
2.1459231
Log P
2.1459231
Molar Refractivity
62.9606
Polarizability
24.61746
Polar Surface Area
77.32
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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