Molecule

ID:79109

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Br₂N₂O
Molecular Mass
329.97544
Exact Mass
327.88468682
Charge
0
InChI
InChI=1S/C10H6Br2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H
InChIKey
NQJXEMRMTOSSBQ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnn(c(=O)c1Br)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(=O)c(c(Br)cn1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.979649
LogD (pH = 7.4)
2.979649
Log P
2.979649
Molar Refractivity
65.8538
Polarizability
24.378517
Polar Surface Area
32.67
Rotatable Bonds
1
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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