Molecule

ID:65171

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrFIN
Molecular Mass
301.8829532
Exact Mass
300.83993729
Charge
0
InChI
InChI=1S/C5H2BrFIN/c6-3-1-2-9-5(7)4(3)8/h1-2H
InChIKey
QNCJOPUYVGQTNE-UHFFFAOYSA-N
Canonic Smiles
Brc1ccnc(c1I)F
Isomeric Smiles
c1cnc(c(c1Br)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9899032
LogD (pH = 7.4)
2.9899032
Log P
2.9899032
Molar Refractivity
46.1175
Polarizability
17.810331
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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