Molecule

ID:97899

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrFN₂
Molecular Mass
215.0224632
Exact Mass
213.95418836
Charge
0
InChI
InChI=1S/C7H4BrFN2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)
InChIKey
JNOXZOAZSLHRAA-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2nc[nH]c2cc1F
Isomeric Smiles
[nH]1cnc2cc(c(cc12)F)Br
Calculated Properties
JChem
Acid pKa
11.773063
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8238751
LogD (pH = 7.4)
2.1631043
Log P
2.1709585
Molar Refractivity
42.8077
Polarizability
17.184187
Polar Surface Area
28.68
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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