Molecule

ID:98187

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClFNO
Molecular Mass
226.4308832
Exact Mass
224.89923159
Charge
0
InChI
InChI=1S/C5H2BrClFNO/c6-5-3(8)4(10)2(7)1-9-5/h1H,(H,9,10)
InChIKey
RDZYIIXPSIKYQE-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1O)F)Br
Isomeric Smiles
Clc1cnc(c(c1O)F)Br
Calculated Properties
JChem
Acid pKa
7.7548943
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.170686
LogD (pH = 7.4)
2.0192735
Log P
2.1730294
Molar Refractivity
39.3682
Polarizability
15.017013
Polar Surface Area
33.12
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
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Molecule Details
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References
Bioactivity
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