Molecule

ID:68443

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrN₂
Molecular Mass
197.032
Exact Mass
195.96361017
Charge
0
InChI
InChI=1S/C7H5BrN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChIKey
MUQFMGBYYAOIJK-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc2c1nc[nH]2
Isomeric Smiles
c1nc2c([nH]1)cccc2Br
Calculated Properties
JChem
Acid pKa
11.949974
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9091412
LogD (pH = 7.4)
2.0264525
Log P
2.0282567
Molar Refractivity
42.5913
Polarizability
17.376375
Polar Surface Area
28.68
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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