Molecule

ID:68199

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClFN
Molecular Mass
210.4314832
Exact Mass
208.90431697
Charge
0
InChI
InChI=1S/C5H2BrClFN/c6-4-1-3(8)2-9-5(4)7/h1-2H
InChIKey
NKUUDYHEWVWETB-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)Br)Cl
Isomeric Smiles
c1(c(cc(cn1)F)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4912498
LogD (pH = 7.4)
2.4912498
Log P
2.4912498
Molar Refractivity
37.6064
Polarizability
14.261637
Polar Surface Area
12.89
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
No Data Available
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Molecule Details
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References
Bioactivity
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