Molecule

ID:28337

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrF₃N₂
Molecular Mass
214.9712896
Exact Mass
213.93534473
Charge
0
InChI
InChI=1S/C4H2BrF3N2/c5-2-1-9-10-3(2)4(6,7)8/h1H,(H,9,10)
InChIKey
JTHNMRUVJDWVMJ-UHFFFAOYSA-N
Canonic Smiles
FC(c1n[nH]cc1Br)(F)F
Isomeric Smiles
c1(C(F)(F)F)c(c[nH]n1)Br
Calculated Properties
JChem
Acid pKa
10.629324
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3098776
LogD (pH = 7.4)
2.309627
Log P
2.3098812
Molar Refractivity
32.9699
Polarizability
11.961022
Polar Surface Area
28.68
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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