Molecule

ID:68409

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrN₂O
Molecular Mass
199.00482
Exact Mass
197.94287473
Charge
0
InChI
InChI=1S/C6H3BrN2O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKey
ZWDFFESFCIACQC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)non2
Isomeric Smiles
o1nc2c(n1)cc(cc2)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0920212
LogD (pH = 7.4)
2.0920212
Log P
2.0920212
Molar Refractivity
39.7576
Polarizability
15.838934
Polar Surface Area
38.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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