Molecule

ID:64762

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrF₂N
Molecular Mass
193.9768864
Exact Mass
192.93386751
Charge
0
InChI
InChI=1S/C5H2BrF2N/c6-5-3(7)1-9-2-4(5)8/h1-2H
InChIKey
GUHHQICCMWFQAY-UHFFFAOYSA-N
Canonic Smiles
Fc1cncc(c1Br)F
Isomeric Smiles
c1(cncc(c1Br)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8097297
LogD (pH = 7.4)
1.8097299
Log P
1.8097299
Molar Refractivity
31.9567
Polarizability
12.152021
Polar Surface Area
12.89
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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